SCHEMBL2861263

SCHEMBL2861263

CCc1c(OCOC)cc(OCOC)c(C(=O)c2ccc(OC)c(-c3cccc(OC)c3)c2)c1CCOCC1COC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
HSP90AA1 P07900 6/20 0.34
HSP90AB1 P08238 6/20 0.34
RARG P13631 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
F10 P00742 1/20 0.30
DHODH Q02127 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
SCHEMBL2854767 0.93 RARG (0.32) SYKHSP90AA1HSP90AB1RARGADORA3
SCHEMBL2859491 0.88 TSHR (0.33) RARGADORA3CYP3A4TSHRCYP2C19
SCHEMBL2854715 0.87 L3MBTL1 (0.35) ADORA3F10
SCHEMBL2860085 0.86 ALDH1A1 (0.36) CYP2D6CYP2C19
SCHEMBL2862937 0.86 HTT (0.32) RARG
SCHEMBL4386859 0.83 HTR1A (0.33)
SCHEMBL2862113 0.82 PLK4 (0.30)
SCHEMBL2866627 0.81 MAPT (0.32) ADORA3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL2868822 0.81 F10 (0.33) F10
SCHEMBL2869265 0.81 ADORA3 (0.32) ADORA3

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 6 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
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 SYK 2285/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SYK 2285/4885HSP90AA1 4/4885HSP90AB1 1/4885

“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.