SCHEMBL4381616

SCHEMBL4381616

C=Cc1c(OCOC)cc(OCOC)c(-c2ccco2)c1CCOC

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
TSHR P16473 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
SCHEMBL4387756 0.85 ALDH1A1 (0.34) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4381067 0.82 PLAU (0.31) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4379978 0.72 PLAU (0.33) ALDH1A1LMNA
SCHEMBL4384689 0.69 EGFR (0.38) KDM4EALDH1A1
SCHEMBL4384082 0.69 L3MBTL1 (0.34) KDM4EALDH1A1HPGDLMNA
SCHEMBL4382249 0.69 EGFR (0.38)
SCHEMBL4380967 0.68 L3MBTL1 (0.36) KDM4EALDH1A1
SCHEMBL4379675 0.67 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4379960 0.67 ALDH1A1 (0.39) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL4389503 0.67 KDM4C (0.38) RAB9A

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 KDM4E 3223/4885ALDH1A1 3520/4885HPGD 3238/4885

“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.