SCHEMBL169917

SCHEMBL169917

COC(C=O)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL139808 0.89 NPC1 (0.37) HMGCRNPC1RAB9AMEN1USP2
SCHEMBL1695375 0.86 HMGCR (0.31) HMGCR
SCHEMBL76645 0.83 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL3651085 0.81 FFAR4 (0.35) HMGCRNPC1RAB9AMAPT
SCHEMBL9340775 0.80 HSPA5 (0.43) NPC1RAB9AMEN1USP2ALDH1A1
SCHEMBL29807700 0.80 HSPA5 (0.43) NPC1RAB9AMEN1USP2ALDH1A1
SCHEMBL28878062 0.80 RXFP1 (0.38) NPC1RAB9AALDH1A1CYP1A2MAPT
SCHEMBL6896537 0.80 HMGCR (0.32) HMGCRNPC1RAB9A
SCHEMBL22721242 0.80 HMGCR (0.32) HMGCRMEN1ALDH1A1KMT2ANPSR1
SCHEMBL6837010 0.79 NPC1 (0.38) NPC1RAB9AMEN1USP2ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167255-A1 Stabilizer composition EVERLIGHT USA, INC. 2004-08-26 US claimed
EP-1439206-A2 Stabilizer composition Everlight USA, Inc. (US) 2004-07-21 EP claimed
US-9222024-B2 Polymerized films with line texture or fingerprint texture BASF SE (DE) 2015-12-29 US disclosed
US-9034955-B2 High molecular weight nonpolar benzotriazoles BASF SE (DE) 2015-05-19 US disclosed
EP-2561038-A1 POLYMERIZED FILMS WITH LINE TEXTURE OR FINGERPRINT TEXTURE BASF SE (DE) 2013-02-27 EP disclosed
US-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES BASF SE (DE) 2012-03-08 US disclosed
EP-2387600-A2 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-11-23 EP disclosed
WO-2011132137-A1 POLYMERIZED FILMS WITH LINE TEXTURE OR FINGERPRINT TEXTURE BASF SE (DE) 2011-10-27 WO disclosed
US-20110254954-A1 APPARATUS AND METHOD FOR AUTOMATICALLY ADJUSTING POSITIONS OF MICROPHONE HON HAI PRECISION INDUSTRY CO., LTD. (TW) 2011-10-20 US disclosed
US-20110255073-A1 POLYMERIZED FILMS WITH LINE TEXTURE OR FINGERPRINT TEXTURE BASF SE (DE) 2011-10-20 US disclosed
WO-2010081625-A2 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2010-07-22 WO disclosed
US-20040167255-A1 Stabilizer composition EVERLIGHT USA, INC. 2004-08-26 US disclosed
EP-1439206-A2 Stabilizer composition Everlight USA, Inc. (US) 2004-07-21 EP disclosed
US-20040138357-A1 Polyacetal molded articles stabilized against discolaration CIBA SPECIALTY CHEMICALS CORP. 2004-07-15 US disclosed
EP-1401940-A1 POLYACETAL MOLDED ARTICLES STABILIZED AGAINST DISCOLORATION Ciba SC Holding AG (CH) 2004-03-31 EP disclosed
WO-2002088240-A1 POLYACETAL MOLDED ARTICLES STABILIZED AGAINST DISCOLORATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-11-07 WO 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 (1 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-20120059095-A1 HIGH MOLECULAR WEIGHT NONPOLAR BENZOTRIAZOLES SULT1A1, TPST2, SULT2A1 HMGCR 2786/4885NPC1 4231/4885RAB9A 4877/4885

“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.