SCHEMBL4382142

SCHEMBL4382142

COCCOCCc1cc(OCOC)cc(OCOC)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
CTNNB1 P35222 1/20 0.32
CALM1 P0DP23 2/20 0.31
AKR1B1 P15121 1/20 0.31
ENPP2 Q13822 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
SCHEMBL2860155 0.89 CYP19A1 (0.36) CYP19A1KDM4ECALM1AKR1B1ENPP2
SCHEMBL12384145 0.78 CTNNB1 (0.42) KDM4ERECQLCTNNB1
SCHEMBL2947790 0.76 ALDH1A1 (0.42)
SCHEMBL2868811 0.76 CYP4F2 (0.40) CYP19A1KDM4ECALM1AKR1B1
SCHEMBL19225043 0.75 KDM4E (0.39) KDM4ERECQL
SCHEMBL4378992 0.74 F2 (0.33)
SCHEMBL4381965 0.73 F2 (0.31) KDM4ERECQL
SCHEMBL12059464 0.72 PTGS2 (0.40) CYP19A1KDM4ECALM1
SCHEMBL27655773 0.71 TAAR1 (0.47) KDM4EENPP2
SCHEMBL643648 0.71 FYN (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CYP19A1 1292/4885KDM4E 3223/4885RECQL 1489/4885

“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.