SCHEMBL677260

SCHEMBL677260

CCCCc1c[c]ccc1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.38
CTRC Q99895 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21268376 0.96 TYR (0.36) TYRCTRCLIPGTLR8CYP3A4
SCHEMBL677099 0.94 LIPG (0.40) TYRLIPGTLR8CYP3A4MEN1
SCHEMBL4868376 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL1335248 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL829393 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL1334347 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL828966 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL4865770 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL4863392 0.92 LIPG (0.43) TYRLIPGCYP3A4MEN1TP53
SCHEMBL27371197 0.88 TYR (0.34) TYRCTRCLIPGTLR8CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 EP claimed
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
WO-2015126860-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. (US) 2015-08-27 WO 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
CN-107851799-B Method for protecting electrode material against moisture 魁北克电力公司 2021-06-01 CN disclosed
CN-108774481-B Water-based adhesive for medical equipment packaging sealing bag 上海欧畅新材料科技有限公司 2020-05-15 CN disclosed
US-10644319-B2 Process for protecting electrode materials against moisture TRANSFERT PLUS, S.E.C. (CA) 2020-05-05 US disclosed
EP-3304625-B1 PROCESS FOR PROTECTING ELECTRODE MATERIALS AGAINST MOISTURE HYDRO QUEBEC (CA) 2020-03-25 EP disclosed
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-1182470-A1 PHASE CONTRAST PLATE COMPRISING ONE SHEET OF CELLULOSE ESTER FILM CONTAINING AROMATIC COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2002-02-27 EP disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 US 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
US-6207343-B1 RESIN CONTAINING GROUPS WHICH DECOMPOSE BY THE ACTION OF AN ACID TO ENHANCE ITS SOLUBILITY IN AN ALKALINE DEVELOPING SOLUTION AND A COMPOUND WHICH GENERATES AN ACID UPON IRRADIATION WITH ACTINIC RAYS OR RADIATION FUJI PHOTO FILM CO., LTD. (JP) 2001-03-27 US 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
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR TYR 275/4885CTRC 1016/4885LIPG 3770/4885
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD TYR 95/4885CTRC 402/4885LIPG 4756/4885

“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.