SCHEMBL13640753

SCHEMBL13640753

Cc1ccc(C2COc3cc(O)cc(O)c3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
ALOX12 P18054 5/20 0.53
CYP19A1 P11511 5/20 0.53
ALOX15 P16050 3/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
THRB P10828 2/20 0.46
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
CYP3A4 P08684 3/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL678189 0.90 ALOX12 (0.65) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL29412620 0.90 ALOX12 (0.65) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL12825176 0.90 ALOX12 (0.65) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL14281987 0.89 CYP19A1 (0.53) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL13923932 0.89 CYP19A1 (0.53) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL15070036 0.86 ALOX12 (0.60) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL2850735 0.86 CYP19A1 (0.54) PTPN1ALOX12CYP19A1ALOX15MEN1
Dihydrobiochanin A SCHEMBL30217535 0.86 ALOX12 (0.67) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL30217542 0.85 PTPN1 (0.57) PTPN1ALOX12CYP19A1ALOX15MEN1
SCHEMBL17963719 0.85 PTPN1 (0.57) PTPN1ALOX12CYP19A1ALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NORTHWESTERN UNIVERSITY (US) 2012-11-08 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 (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-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 PTPN1 2190/4885ALOX12 3543/4885CYP19A1 705/4885

“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.