SCHEMBL1789913

SCHEMBL1789913

COc1ccc(C(C#N)O[Si](C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
GAA P10253 4/20 0.47
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5317124 1.00 ALDH1A1 (0.47) ALDH1A1GAALMNAHTTSMN1; SMN2
SCHEMBL7932437 0.86 ALDH1A1 (0.33) ALDH1A1GAALMNAHTT
SCHEMBL9297323 0.83 ALDH1A1 (0.43) ALDH1A1GAALMNAHTTSMN1; SMN2
SCHEMBL5525306 0.83 ALDH1A3 (0.37) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL12412508 0.82 ALDH1A1 (0.39) ALDH1A1GAALMNAHTTNPC1
SCHEMBL6613625 0.82 CA1 (0.40) ALDH1A1GAAHTTCA1CA2
SCHEMBL7089384 0.81 ALDH1A1 (0.39) ALDH1A1GAALMNAHTTSMN1; SMN2
SCHEMBL7452976 0.81 LTA4H (0.40) ALDH1A1GAASMN1; SMN2TSHRTDP1
SCHEMBL14763050 0.80 PDE2A (0.41) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL2610137 0.80 L3MBTL1 (0.42) ALDH1A1HTTCA1CA2CA7

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920223-B Catalyst for silicon cyanation reaction of aldehyde and trimethylsilyl cyanide and preparation method thereof 兰州大学 2022-09-20 CN disclosed
CN-112920223-A Catalyst for silicon cyanation reaction of aldehyde and trimethylsilyl cyanide and preparation method thereof 兰州大学 2021-06-08 CN disclosed
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
EP-1841747-B1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2012-09-05 EP disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-8039634-B2 Oxazole hydroxamic acid derivatives and use thereof SK HOLDINGS CO., LTD. (KR) 2011-10-18 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 WO disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5329023-A Method of preparing optically active alcohols which consist substantially or entirely of one enantiomer DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-07-12 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 (2 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 ALDH1A1 112/4885GAA 4611/4885LMNA 3992/4885
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT ALDH1A1 472/4885GAA 2371/4885LMNA 3373/4885

“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.