SCHEMBL4386639

SCHEMBL4386639

CCc1c(OC(=O)OC)cc(OC(=O)OC)c(-c2cccc(O)c2)c1CCOC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDR P35968 12/20 0.37
MLLT1 Q03111 1/20 0.34
SPR P35270 1/20 0.34
GCGR P47871 1/20 0.34
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4385095 0.95 ESR1 (0.36) ESR1ESR2KDRMLLT1SPR
SCHEMBL4384143 0.89 KDM4E (0.36)
SCHEMBL4384177 0.89 CNR2 (0.35) KDRALDH1A1MAPT
SCHEMBL4387632 0.87 ERN1 (0.39)
SCHEMBL4386523 0.86 RXRA (0.40) ALDH1A1MAPT
SCHEMBL4385454 0.84 ALDH1A1 (0.34) KDRALDH1A1MAPT
SCHEMBL4395183 0.83 SMN1; SMN2 (0.38) GCGRALDH1A1MAPT
SCHEMBL4379468 0.76 ESR1 (0.44) ESR1ESR2KDRSPRGCGR
SCHEMBL4386586 0.75 ADORA3 (0.37) ALDH1A1MAPT
SCHEMBL4381890 0.73 TSHR (0.40) ESR1ESR2ALDH1A1MAPT

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 ESR1 610/4885ESR2 1033/4885KDR 1787/4885

“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.