SCHEMBL2865742

SCHEMBL2865742

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCCC(O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 4/20 0.49
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.40
HIF1A Q16665 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2866292 0.94 GRM3 (0.42) GRM3HPGDGAAALDH1A1KDM4E
SCHEMBL2860175 0.89 GRM3 (0.52) GRM3HPGDGAAALDH1A1KDM4E
SCHEMBL2859342 0.88 ALDH1A1 (0.47) GRM3HPGDGAAALDH1A1KDM4E
SCHEMBL2862037 0.83 SMN1; SMN2 (0.41) GRM3HPGDGAAALDH1A1LMNA
SCHEMBL2858385 0.82 MAPT (0.55) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL2856092 0.82 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2
SCHEMBL2868820 0.82 SMN1; SMN2 (0.47) HPGDGAAALDH1A1MAPK1RAB9A
SCHEMBL2866392 0.81 FKBP1A (0.50) HPGDGAAALDH1A1KDM4ELMNA
SCHEMBL2866216 0.81 SMN1; SMN2 (0.40) HPGDGAAALDH1A1LMNARAB9A
SCHEMBL2867310 0.79 KDM4E (0.44) GAAALDH1A1KDM4ETDP1

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 7 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 claimed
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 GRM3 3957/4885HPGD 3193/4885GAA 1593/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P GRM3 3957/4885HPGD 3193/4885GAA 1593/4885

“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.