SCHEMBL961819

SCHEMBL961819

O=C(O)Nc1ccccc1.OCCOC#CCI

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 3/20 0.37
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.37
CDK9 P50750 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABAT P80404 1/20 0.36
RECQL P46063 2/20 0.35

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
Carbamic Acid Phenyl Ester SCHEMBL1903919 0.76 ALDH1A1 (0.41) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL560448 0.74 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL672472 0.74 SMN1; SMN2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL27872143 0.74 EPHX2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL7634 0.70 EPHX2 (0.70) CYP3A4RAB9ASMN1; SMN2NPC1TSHR
Benzene SCHEMBL28162617 0.70 EPHX2 (0.70) CYP3A4RAB9ASMN1; SMN2NPC1TSHR
Alcohol SCHEMBL27965507 0.69 NAPRT (0.58) RAB9ASMN1; SMN2NPC1TSHRKMT2A
SCHEMBL672473 0.68 RAB9A (0.48) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
Fluoride SCHEMBL10885265 0.68 EPHX2 (0.67) CYP3A4RAB9ASMN1; SMN2NPC1TSHR
Bromide SCHEMBL5706299 0.68 EPHX2 (0.67) CYP3A4RAB9ASMN1; SMN2NPC1TSHR

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 33 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-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-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-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 (7 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 CYP1A2 4475/4885CYP3A4 4280/4885CYP2C9 3685/4885
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN NISCH, INMT, TPO CYP1A2 3844/4885CYP3A4 3762/4885CYP2C9 2715/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 CYP1A2 4475/4885CYP3A4 4280/4885CYP2C9 3685/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 CYP1A2 1477/4885CYP3A4 665/4885CYP2C9 912/4885
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds TPO, BRD4, SSTR3 CYP1A2 2472/4885CYP3A4 1933/4885CYP2C9 2845/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH CYP1A2 2365/4885CYP3A4 2697/4885CYP2C9 1569/4885
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH CYP1A2 2365/4885CYP3A4 2697/4885CYP2C9 1569/4885

“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.