SCHEMBL12856266

SCHEMBL12856266

Cc1cc2c(C(C)C)c(O)c(O)c3c2c(c1C)OC3O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 4/20 0.42
▸ AKR1B1 P15121 11/20 0.41
▸ LDHA P00338 5/20 0.41
▸ LDHB P07195 5/20 0.41
▸ MCL1 Q07820 5/20 0.41
▸ BCL2 P10415 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ BLM P54132 2/20 0.41

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
SCHEMBL22700788 0.80 MCL1 (0.61) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622254 0.72 AKR1B1 (0.46) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622261 0.66 ALB (0.53) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622242 0.63 AKR1B1 (0.39) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622255 0.62 ALB (0.51) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622252 0.62 AKR1B1 (0.64) ALBAKR1B1LDHALDHBMCL1
SCHEMBL10268835 0.62 AKR1B1 (0.51) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622247 0.61 ALB (0.63) ALBAKR1B1LDHALDHBMCL1
SCHEMBL2622251 0.60 AKR1B1 (0.71) ALBAKR1B1LDHALDHBMCL1
SCHEMBL13196653 0.60 MCL1 (0.81) ALBAKR1B1LDHALDHBMCL1

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 3 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-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

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 4167/4885AKR1B1 67/4885LDHA 3642/4885
US-20090318566-A1 GOSSYPOL DERIVATIVES, PRODUCTION METHOD THEREOF AND USES OF SAME GGPS1, CYP11B1, CYP11B2 ALB 4167/4885AKR1B1 67/4885LDHA 3642/4885

“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.

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