SCHEMBL2869152

SCHEMBL2869152

C=CCOc1cc(OCC=C)c(C(=O)c2cccc(O)c2)c(CC(=O)O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
FASN P49327 1/20 0.33
FFAR1 O14842 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
SCHEMBL2856153 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B1HSD17B2
SCHEMBL2869018 0.88 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2866468 0.87 KDM4E (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2857250 0.86 ALDH1A1 (0.36) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2862948 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B1HSD17B2
SCHEMBL2860147 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B2RAB9AHSP90AA1
SCHEMBL2866304 0.83 KDM4E (0.47) KDM4EALDH1A1GAATSHRMAPT
SCHEMBL2869164 0.83 KDM4E (0.55) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2864846 0.82 MAPT (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2856371 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885ESR1 1491/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885ESR1 1491/4885ALDH1A1 2940/4885

“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.