SCHEMBL1864534

SCHEMBL1864534

O=C(OC(CO)CO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.78
CYP17A1 P05093 6/20 0.53
CYP19A1 P11511 6/20 0.53
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
PKM P14618 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL14226513 0.79 PRKCA (0.63) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL1869099 0.76 PRKCA (0.57) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL16731832 0.76 CYP17A1 (0.55) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL28277770 0.76 PRKCA (0.53) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL18557909 0.76 PRKCA (0.53) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL14240734 0.76 PRKCA (0.59) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL19475250 0.74 CYP17A1 (0.54) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL10531426 0.74 PRKCA (0.51) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL16731843 0.74 PRKCA (0.51) PRKCACYP17A1CYP19A1MAPTMEN1
SCHEMBL2754983 0.74 PRKCA (0.51) PRKCACYP17A1CYP19A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF PRKCA 703/4885CYP17A1 1456/4885CYP19A1 2524/4885

“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.