SCHEMBL2860340

SCHEMBL2860340

CCc1c(O)cc(O)c(C(=O)c2ccoc2)c1CCOCCO

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
TRPA1 O75762 1/20 0.31
PTK2 Q05397 1/20 0.31
GPR52 Q9Y2T5 1/20 0.30
CYP3A4 P08684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL2859684 0.83 GAA (0.40) HSP90B1CYP3A4KDM4EALDH1A1CYP1A2
SCHEMBL2868754 0.81 NFKB1 (0.40) HSP90AA1CYP3A4ALDH1A1CYP2D6MAPT
SCHEMBL2860006 0.80 CES2 (0.32) HSP90AA1HSP90B1GPR52ALDH1A1
SCHEMBL2859963 0.79 TUBB4A (0.44) CYP3A4KDM4EMEN1CYP1A2CYP2C9
SCHEMBL2869188 0.78 TRPA1 (0.35) HSP90AA1HSP90B1TRPA1PTK2GPR52
SCHEMBL2862980 0.78 ALDH1A1 (0.35) HSP90AA1HSP90B1TRPA1PTK2CYP3A4
SCHEMBL2862382 0.77 KDM4E (0.34) PTK2KDM4EALDH1A1MAPTHPGD
SCHEMBL2859117 0.77 HTT (0.35) MEN1ALDH1A1MAPTKMT2A
SCHEMBL2858221 0.76 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2862696 0.76 DRD2 (0.31) TRPA1PTK2

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 HSP90AA1 4/4885HSP90B1 2/4885TRPA1 2154/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90B1 2/4885TRPA1 2154/4885

“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.