SCHEMBL932837

SCHEMBL932837

c1ccc2cc(CCc3cccc4ccccc34)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.63
MAPK1 P28482 1/20 0.63
SOX18 P35713 1/20 0.55
AKR1B1 P15121 1/20 0.54
F10 P00742 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2A6 P11509 1/20 0.47
DAO P14920 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MC4R P32245 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44

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
SCHEMBL31509450 0.83 MAPK1 (0.65) MC5RMAPK1CYP1A2CYP2A6CYP2C9
SCHEMBL7915037 0.83 MAPK1 (0.65) MC5RMAPK1CYP1A2CYP2A6CYP2C9
SCHEMBL3047898 0.82 CYP1A2 (0.62) AKR1B1CYP1A2CYP2A6DAOCYP2C9
SCHEMBL29560700 0.82 CYP1A2 (0.65) MC5RSOX18CYP1A2CYP2A6SIGMAR1
SCHEMBL6240981 0.82 CYP1A2 (0.65) MC5RSOX18CYP1A2CYP2A6SIGMAR1
SCHEMBL1826164 0.80 CYP1A2 (0.52) AKR1B1CYP1A2DAOSIGMAR1CYP2C9
SCHEMBL49863 0.79 CYP1A2 (0.69) MC5RMAPK1CYP1A2CYP2A6SIGMAR1
SCHEMBL5778428 0.79 MC5R (0.59) MC5RMAPK1CYP1A2CYP2A6CYP2C9
SCHEMBL6192739 0.79 BACE1 (0.53) AKR1B1DAO
SCHEMBL7069796 0.78 AKR1B1 (0.47) MC5RMAPK1AKR1B1CYP1A2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448956-B1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed
US-9206222-B2 Solid phase peptide synthesis of peptide alcohols CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-12-08 US disclosed
EP-2448956-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS Centre National De La Recherche Scientifique CNRS (FR) 2012-05-09 EP disclosed
US-20120108748-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-03 US disclosed
WO-2011000848-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-01-06 WO disclosed
EP-2270025-A1 Solid phase peptide synthesis of peptide alcohols Centre National pour la Recherche Scientifique (CNRS) (FR) 2011-01-05 EP disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-6753409-B1 FOR TREATMENT OF MYOCARDIAL INFARCTION, STROKE, PERIPHERAL ARTERIAL DISEASE AND DISSEMINATED INTRAVASCULAR COAGULATION AVENTIS PHARMACEUTICALS INC. 2004-06-22 US disclosed
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
US-20020002268-A1 Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides AVENTIS PHARMACEUTICALS INC. 2002-01-03 US disclosed
EP-0929572-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-21 EP disclosed
EP-0923553-A1 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N- N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-06-23 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed
EP-0812205-A4 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE POULENC RORER PHARMA (US) 1999-03-31 EP disclosed
US-5866685-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-02-02 US disclosed
US-5780590-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-14 US disclosed
WO-1998017678-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-04-30 WO disclosed
WO-1998007696-A1 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N-[N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-26 WO disclosed
EP-0812205-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-12-17 EP disclosed
WO-1995010295-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-20 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 (3 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-20020002268-A1 Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides PLAT, SELP, PIGS MC5R 2369/4885MAPK1 3313/4885SOX18 4065/4885
US-20120108748-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS VIP, ERG28, PSAP MC5R 4023/4885MAPK1 2201/4885SOX18 3458/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B MC5R 1933/4885MAPK1 2616/4885SOX18 4481/4885

“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.