SCHEMBL932836

SCHEMBL932836

[CH](Cc1cccc2ccccc12)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MC5R P33032 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
RELA Q04206 1/20 0.43
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5010806 0.82 TDP1 (0.48) NPC1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL7359545 0.79 TDP1 (0.43) NPC1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL10806504 0.79 L3MBTL1 (0.54) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL5551802 0.75 MC5R (0.58) MAPK1MC5RNPC1RAB9ACYP2C19
SCHEMBL8204171 0.74 RELA (0.53) MAPK1RAB9ACYP1A2RELAKDM4E
SCHEMBL8668861 0.74 RAB9A (0.51) MC5RRAB9ACYP1A2RELAKDM4E
SCHEMBL8671357 0.74 CYP1A2 (0.48) NPC1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL5500901 0.74 RAB9A (0.41) MAPK1MC5RNPC1RAB9ACYP2C19
SCHEMBL5830944 0.73 CYP2C19 (0.56) NPC1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL140015 0.71 RELA (0.54) RAB9ACYP1A2RELAKDM4EALDH1A1

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 MAPK1 3313/4885MC5R 2369/4885NPC1 3858/4885
US-20120108748-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS VIP, ERG28, PSAP MAPK1 2201/4885MC5R 4023/4885NPC1 1717/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B MAPK1 2616/4885MC5R 1933/4885NPC1 4527/4885

“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.