SCHEMBL2859491

SCHEMBL2859491

CCc1c(OCOC)cc(OCOC)c(C(=O)c2ccc(OC)c(OC)c2)c1CCOCC1COC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARG P13631 1/20 0.32
MAPK1 P28482 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
AHR P35869 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
SCHEMBL2860085 0.93 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1
SCHEMBL2862937 0.93 HTT (0.32) RARGMAPK1ACHEALDH1A1
SCHEMBL2854715 0.91 L3MBTL1 (0.35) CYP2C9GAAADORA3
SCHEMBL2862113 0.91 PLK4 (0.30)
SCHEMBL2868822 0.88 F10 (0.33)
SCHEMBL2869265 0.88 ADORA3 (0.32) ADORA3
SCHEMBL2854767 0.88 RARG (0.32) RARGADORA3
SCHEMBL2861263 0.88 SYK (0.36) TSHRCYP3A4CYP2C19RARGADORA3
SCHEMBL2866627 0.84 MAPT (0.32) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL15225835 0.83 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.