SCHEMBL2858867

SCHEMBL2858867

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CCOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SLC22A12 Q96S37 4/20 0.41
CYP2C9 P11712 2/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2864661 0.93 LMNA (0.40) NFKB1NFKB2RELACYP3A4CYP2D6
SCHEMBL2868754 0.88 NFKB1 (0.40) NFKB1NFKB2RELACYP3A4CYP2D6
SCHEMBL2862066 0.87 LMNA (0.40) CYP3A4CYP2D6CYP2C19MAPTHTT
SCHEMBL4165870 0.84 NFKB1 (0.37) NFKB1NFKB2RELACYP3A4CYP2D6
SCHEMBL2861272 0.83 MAPT (0.47) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL2865059 0.83 GAA (0.42) GAAMAPTHTTALDH1A1LMNA
SCHEMBL2865471 0.82 CYP3A4 (0.45) NFKB1NFKB2RELACYP3A4CYP2D6
SCHEMBL2860094 0.82 SIGMAR1 (0.37) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL27813702 0.81 SLC22A12 (0.37) NFKB1NFKB2RELACYP3A4CYP2D6
SCHEMBL2862959 0.80 PTGS2 (0.42) CYP3A4CYP2D6CYP2C19GAAMAPT

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 NFKB1 2502/4885NFKB2 2208/4885RELA 1703/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P NFKB1 2502/4885NFKB2 2208/4885RELA 1703/4885

“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.