SCHEMBL2859112

SCHEMBL2859112

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)c(OC)c2)c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
ACHE P22303 3/20 0.44
BCHE P06276 2/20 0.44

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
SCHEMBL2863104 0.93 GAA (0.51) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2865035 0.89 HTT (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2860161 0.89 CYP1A2 (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2861272 0.85 MAPT (0.47) CYP1A2CYP3A4CYP2C19CA1CA2
SCHEMBL2869198 0.83 ACHE (0.44) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15225594 0.81 STS (0.46) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL2860145 0.81 TUBB4A (0.48) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2867456 0.81 SLC22A12 (0.42) CYP2C9CA2MEN1KMT2AMAPT
SCHEMBL2865196 0.81 HSD17B1 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19CA12
SCHEMBL2862917 0.80 HPGD (0.40) CYP1A2CYP3A4CYP2C19GAAALDH1A1

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 8 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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 TSHR 1356/4885CYP1A2 1343/4885CYP3A4 2051/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TSHR 1356/4885CYP1A2 1343/4885CYP3A4 2051/4885

“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.