SCHEMBL4863564

SCHEMBL4863564

CCCc1c[c]cc(CCC)c1CCC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HMGCR P04035 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8478826 0.87 KDM4E (0.30) KDM4EALDH1A1GAAHPGD
SCHEMBL1187487 0.80 HTT (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1187433 0.78 TYR (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL6543762 0.77 KDM4E (0.31) KDM4E
SCHEMBL6544890 0.77 PRKCI (0.38) HMGCR
SCHEMBL1187625 0.77 TYR (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1187532 0.77 TYR (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1187624 0.77 TYR (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1186412 0.77 TYR (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1186767 0.77 TYR (0.43) KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 US claimed
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. 2015-08-20 US claimed
US-7429548-B2 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-09-30 US claimed
EP-1620447-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEM PATENTS INC (US) 2007-08-08 EP claimed
US-7161018-B2 Soluble late transition metal catalysts for olefin oligomerizations II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-09 US claimed
EP-1513854-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS EXXONMOBIL CHEM PATENTS INC (US) 2006-11-29 EP claimed
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US claimed
EP-3107542-B1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS INC (US) 2019-05-01 EP disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 EP disclosed
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 US disclosed
CN-1122033-C Triazolopurine derivatives, pharmaceutical compositions containing the same OTSUKE PHARMACEUTICAL FACTORY (JP) 2003-09-24 CN disclosed
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
CN-1376157-A Triazolopurine derivatives, drug compositions containing the same and adenosine A3 receptor affinitive agents OTSUKA PHARMA CO LTD (JP) 2002-10-23 CN disclosed
EP-1227098-A1 TRIAZOLOPURINE DERIVATIVES, DRUG COMPOSITIONS CONTAINING THE SAME AND ADENOSINE A3 RECEPTOR AFFINITIVE AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-07-31 EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 US disclosed
CN-1301266-A Triazolopurine derivatives, pharmaceutical composition containing the same, adenosine A3 receptor affinity agent, and asthma therapeutic agent OTSUKA PHARMACEUITCAL FACTORY (JP) 2001-06-27 CN disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 EP 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR KDM4E 4009/4885ALDH1A1 1898/4885GAA 1647/4885
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD KDM4E 195/4885ALDH1A1 1501/4885GAA 2504/4885

“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.