SCHEMBL2656931

SCHEMBL2656931

[Ni].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
KCNA3 P22001 1/20 0.31
CALM1 P0DP23 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
Hydrochloric Acid SCHEMBL196878 0.97 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL29179 0.97 CYP3A4 (0.45) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL954340 0.94 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL556980 0.94 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL28797563 0.94 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL3930010 0.94 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL2920316 0.94 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL7164452 0.94 TDP1 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL8211513 0.94 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KCNA3
SCHEMBL689027 0.94 TDP1 (0.43) CYP3A4TDP1ESR1ESR2KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5043485-A None JP disclosed
US-7858791-B2 Process for the preparation of cabergoline RICHTER GEDEON VEGYESZETI GYAR RT (HU) 2010-12-28 US disclosed
EP-1720869-B1 PROCESS FOR THE PREPARATION OF CABERGOLINE RICHTER GEDEON NYRT (HU) 2010-05-26 EP disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
US-20070293677-A1 Process for the Preparation of Cabergoline RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-12-20 US disclosed
JP-H0543485-A SYNTHESIS OF SUBSTITUTED ALLYLBENZENE HOKKO CHEM IND CO LTD 1993-02-23 JP 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-20070293677-A1 Process for the Preparation of Cabergoline ERG, UBE2V1, CYP4A11 CYP3A4 40/4885TDP1 1891/4885ESR1 141/4885

“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.