SCHEMBL2863503

SCHEMBL2863503

CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CA9 Q16790 2/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40
HTT P42858 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2861394 0.89 SLC22A12 (0.40) CA9HPGDALDH1A1LMNAMAPT
SCHEMBL2861760 0.87 GAA (0.44) L3MBTL1CA9ALDH1A1LMNAKDM4E
SCHEMBL2865471 0.87 CYP3A4 (0.45) HPGDALDH1A1LMNAMAPTCYP2D6
SCHEMBL2860483 0.86 STS (0.45) L3MBTL1HPGDALDH1A1LMNAKDM4E
SCHEMBL2862917 0.86 HPGD (0.40) L3MBTL1HPGDALDH1A1LMNAKDM4E
SCHEMBL2865023 0.84 AKR1C3 (0.44) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL2861252 0.83 SMN1; SMN2 (0.38) CA9ALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL2859064 0.82 ALDH1A1 (0.35) HPGDALDH1A1LMNAKDM4EHSD17B10
SCHEMBL2860161 0.82 CYP1A2 (0.50) CA9HPGDALDH1A1MAPTCYP1A2
SCHEMBL2862980 0.82 ALDH1A1 (0.35) L3MBTL1CA9HPGDALDH1A1KDM4E

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 L3MBTL1 1050/4885CA9 4237/4885HPGD 3193/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P L3MBTL1 1050/4885CA9 4237/4885HPGD 3193/4885

“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.