SCHEMBL139808

SCHEMBL139808

COC(C=O)Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
POLB P06746 2/20 0.36
HMGCR P04035 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL169917 0.89 HMGCR (0.32) NPC1RAB9AHMGCRALDH1A1MAPT
SCHEMBL20614156 0.86 NPC1 (0.36) NPC1RAB9APOLBHMGCRALDH1A1
SCHEMBL194402 0.85 HMGCR (0.33) NPC1RAB9APOLBHMGCRALDH1A1
SCHEMBL7155874 0.83 PPARG (0.38) NPC1RAB9APOLBHMGCRALDH1A1
SCHEMBL295015 0.82 CA2 (0.34) NPC1RAB9APOLBHMGCRALDH1A1
SCHEMBL132430 0.79 MAOB (0.39) NPC1RAB9APOLBHMGCRALDH1A1
SCHEMBL9324329 0.79 NPC1 (0.40) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL23883127 0.78 KDM4E (0.46) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL11344536 0.78 NPC1 (0.46) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL75784 0.78 NPC1 (0.46) NPC1RAB9APOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582250-B2 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2022-03-09 EP disclosed
EP-3044208-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2016-07-20 EP disclosed
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
WO-2015036910-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2015-03-19 WO disclosed
EP-1582250-B1 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2013-05-15 EP 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
US-20120053283-A1 POLYMER ADDITIVES CONTAINING PARTICLES BASF SE (DE) 2012-03-01 US disclosed
WO-2011132137-A1 POLYMERIZED FILMS WITH LINE TEXTURE OR FINGERPRINT TEXTURE BASF SE (DE) 2011-10-27 WO disclosed
US-6020528-A Alkylphenylbisacylphosphine oxides and photoinitiator mixtures CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-01 US disclosed
EP-0962491-A1 Cyanacetylurea to stabilize halogenated polymers Witco Vinyl Additives GmbH (DE) 1999-12-08 EP disclosed
WO-1999000397-A1 RUTHENIUM AND OSMIUM CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-01-07 WO disclosed
WO-1999000396-A1 RUTHENIUM AND OSMIUM CARBENE CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-01-07 WO disclosed
EP-0880552-A1 INCREASING THE MOLECULAR WEIGHT OF POLYAMIDES Ciba SC Holding AG (CH) 1998-12-02 EP disclosed
WO-1998052952-A1 POLYBORATE COINITIATORS FOR PHOTOPOLYMERIZATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-11-26 WO disclosed
EP-0850946-A1 Cyclic phosphinic acid derivatives as stabilizers Ciba SC Holding AG (CH) 1998-07-01 EP disclosed
WO-1997030106-A1 INCREASING THE MOLECULAR WEIGHT OF POLYAMIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-08-21 WO disclosed
EP-0718357-A2 Flame-resistant moulding composition having improved light stability HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-26 EP disclosed
EP-0705836-A1 Polyalkylpiperidine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-10 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 (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 NPC1 4231/4885RAB9A 4877/4885POLB 474/4885

“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.