SCHEMBL1144495

SCHEMBL1144495

CC1=C(C2=C(C)C(=O)c3c(c(O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(O)c(O)c(O)c(C(C)C)c2C1=O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.31
LDHA P00338 2/20 0.31
LDHB P07195 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
AR P10275 1/20 0.30
BCL2 P10415 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL13857053 0.83 LDHA (0.44) ALBLDHALDHBKDM4EMEN1
Gossypolone SCHEMBL29407306 0.82 AKR1B1 (0.44) ALBLDHALDHBKDM4EMEN1
Gossypolone SCHEMBL2622243 0.82 AKR1B1 (0.44) ALBLDHALDHBKDM4EMEN1
SCHEMBL1144454 0.78 AKR1B1 (0.33) AKR1B1
SCHEMBL12856168 0.76
SCHEMBL1143986 0.74
SCHEMBL22700493 0.73 AKR1B1 (0.38) ALBLDHALDHBKDM4EMEN1
SCHEMBL1890983 0.73 EGFR (0.42) ALBKDM4EMEN1NPC1USP2
SCHEMBL12856175 0.72 TYR (0.32)
SCHEMBL12856269 0.72 AKR1B1 (0.32) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046233-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-02-24 US disclosed
US-20110046233-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-02-24 US disclosed
US-20110046233-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-02-24 US disclosed
US-7851510-B2 protein kinase inhibitors such as 6,7,6',7'-tetrahydroxy-8,8'-bis-methoxymethyl-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,4,1',4'-tetraone, used in the treatment of melanomas, glioblastomas, adenocarcinomas, colon, lung, prostate or breast cancers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-12-14 US disclosed
US-7851510-B2 protein kinase inhibitors such as 6,7,6',7'-tetrahydroxy-8,8'-bis-methoxymethyl-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,4,1',4'-tetraone, used in the treatment of melanomas, glioblastomas, adenocarcinomas, colon, lung, prostate or breast cancers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-12-14 US disclosed
US-7851510-B2 protein kinase inhibitors such as 6,7,6',7'-tetrahydroxy-8,8'-bis-methoxymethyl-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1,4,1',4'-tetraone, used in the treatment of melanomas, glioblastomas, adenocarcinomas, colon, lung, prostate or breast cancers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-12-14 US disclosed
US-20090318566-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME MICHELOT, ROBERT, MR. (FR) 2009-12-24 US disclosed
US-20090318566-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME MICHELOT, ROBERT, MR. (FR) 2009-12-24 US disclosed
US-20090318566-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME MICHELOT, ROBERT, MR. (FR) 2009-12-24 US disclosed
EP-1704136-B1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME CENTRE NAT RECH SCIENT (FR) 2008-08-13 EP disclosed
EP-1697293-B1 USE OF (Z)-7-CYCLOHEXADECENE-1-ONE AS A PERFUME SYMRISE GMBH & CO KG (DE) 2008-08-13 EP disclosed
EP-1704136-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-09-27 EP disclosed
WO-2005073158-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-08-11 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 (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-20110046233-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME GGPS1, CYP11B1, CYP11B2 ALB 4167/4885LDHA 3642/4885LDHB 3540/4885
US-20090318566-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME GGPS1, CYP11B1, CYP11B2 ALB 4167/4885LDHA 3642/4885LDHB 3540/4885

“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.