SCHEMBL2854767

SCHEMBL2854767

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.32
TPH1 P17752 2/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
SYK P43405 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 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
SCHEMBL2861263 0.93 SYK (0.36) RARGHSP90AA1HSP90AB1ADORA3SYK
SCHEMBL2859491 0.88 TSHR (0.33) RARGADORA3
SCHEMBL2862937 0.86 HTT (0.32) RARG
SCHEMBL2860085 0.86 ALDH1A1 (0.36)
SCHEMBL2854715 0.84 L3MBTL1 (0.35) ADORA3
SCHEMBL4380213 0.83 ESR1 (0.32) ADORA3KCNJ5KCNJ3
SCHEMBL2862113 0.82 PLK4 (0.30)
SCHEMBL2868822 0.81 F10 (0.33) KCNJ5KCNJ3
SCHEMBL2869265 0.81 ADORA3 (0.32) ADORA3KCNJ5KCNJ3
SCHEMBL2866627 0.77 MAPT (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 RARG 4683/4885TPH1 4008/4885HSP90AA1 4/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P RARG 4683/4885TPH1 4008/4885HSP90AA1 4/4885

“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.