SCHEMBL961815

SCHEMBL961815

CC(OCC#CI)OC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.44
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
KLK7 P49862 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15741760 0.83 MEN1 (0.51) CASP3CASP7CASP9CASP6CASP8
SCHEMBL961817 0.80 HDAC3 (0.42) KLK7ALDH1A1MEN1KMT2AMAPT
SCHEMBL677537 0.78 KMT2A (0.54) ALDH1A1MEN1KMT2ACYP1A2RAB9A
SCHEMBL10391900 0.76 MEN1 (0.48) CASP3KLK7ALDH1A1MEN1KMT2A
SCHEMBL961108 0.74 CHRNB2 (0.34) SMN1; SMN2
Phenol SCHEMBL28476395 0.73 KMT2A (0.49) ALDH1A1MEN1KMT2ACYP1A2RAB9A
SCHEMBL18298118 0.73 MEN1 (0.40) CASP3CASP7CASP9CASP6CASP8
SCHEMBL9266421 0.73 HDAC3 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
Propham SCHEMBL8536412 0.72 SMN1; SMN2 (0.66) CASP3KLK7ALDH1A1MEN1KMT2A
Propham SCHEMBL67344 0.72 SMN1; SMN2 (0.66) CASP3KLK7ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4176721-B1 BIOCIDAL POLYMER BLENDS LANXESS DEUTSCHLAND GMBH (DE) 2026-01-07 EP claimed
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP claimed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US claimed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9296878-B2 Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-03-29 US claimed
EP-2831161-B1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-11-18 EP claimed
US-20150203660-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-07-23 US claimed
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2015-03-26 US claimed
US-8921451-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2014-12-30 US claimed
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2014-10-09 US claimed
EP-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 EP claimed
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds LANXESS DEUTSCHLAND GMBH (DE) 2012-12-06 US claimed
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2012-08-16 US claimed
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-26 US claimed
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-12 US claimed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US claimed
WO-2022270091-A1 ANTIMICROBIAL PARTICLE DISPERSION 三菱鉛筆株式会社 2022-12-29 WO disclosed
US-9951205-B2 Stable compositions of thiabendazole and iodine-containing fungicides LANXESS DEUTSCHLAND GMBH (DE) 2018-04-24 US disclosed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US disclosed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US disclosed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-9296878-B2 Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-03-29 US disclosed
US-20150203660-A1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-07-23 US disclosed
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2015-03-26 US disclosed
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2015-03-19 US disclosed
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES LANXESS DEUTSCHLAND GMBH (DE) 2015-02-19 US disclosed
US-8921451-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2014-12-30 US disclosed
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2014-10-09 US disclosed
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds LANXESS DEUTSCHLAND GMBH (DE) 2012-12-06 US disclosed
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2012-08-16 US disclosed
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-26 US disclosed
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-12 US disclosed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US disclosed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 CASP3 4336/4885CASP7 4316/4885CASP9 3958/4885
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN NISCH, INMT, TPO CASP3 4278/4885CASP7 4145/4885CASP9 3626/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 CASP3 4336/4885CASP7 4316/4885CASP9 3958/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 CASP3 2528/4885CASP7 4438/4885CASP9 3693/4885
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds TPO, BRD4, SSTR3 CASP3 616/4885CASP7 2741/4885CASP9 2579/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH CASP3 2466/4885CASP7 1809/4885CASP9 1487/4885
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH CASP3 2466/4885CASP7 1809/4885CASP9 1487/4885
US-20150051279-A1 STABLE COMPOSITIONS OF THIABENDAZOLE AND IODINE-CONTAINING FUNGICIDES DDT, TPO, TRHDE CASP3 401/4885CASP7 1010/4885CASP9 627/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.