SCHEMBL961817

SCHEMBL961817

CC(O)OCC#CI.O=C(O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL961815 0.80 CASP3 (0.44) ALDH1A1MAPTMEN1KMT2ARXFP1
Carbamic Acid Phenyl Ester SCHEMBL1903913 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL560448 0.76 CYP1A2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Isopropyl Alcohol SCHEMBL11779348 0.75 HSD17B10 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19547556 0.74
SCHEMBL9266421 0.74 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL677537 0.73 KMT2A (0.54) ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL27872145 0.72 L3MBTL1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Lactic Acid SCHEMBL8622247 0.71 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
L-Lactic Acid SCHEMBL7787988 0.71 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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 38 patents — showing the first 20. 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-20160360753-A1 BIOCIDIC MICROCAPSULES LANXESS DEUTSCHLAND GMBH (DE) 2016-12-15 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials 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

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

For each of this compound's patents that has machine-readable text (6 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 HDAC3 3128/4885HDAC4 3314/4885HDAC1 2447/4885
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN NISCH, INMT, TPO HDAC3 3345/4885HDAC4 3595/4885HDAC1 2678/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 HDAC3 3128/4885HDAC4 3314/4885HDAC1 2447/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 HDAC3 544/4885HDAC4 1729/4885HDAC1 1254/4885
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds TPO, BRD4, SSTR3 HDAC3 21/4885HDAC4 346/4885HDAC1 207/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH HDAC3 3419/4885HDAC4 4332/4885HDAC1 3324/4885

“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.