SCHEMBL4392498

SCHEMBL4392498

COCOc1cc(OCOC)cc(C(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
UGT2B7 P16662 1/20 0.34
PTGS2 P35354 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
FFAR1 O14842 1/20 0.32
GRM5 P41594 2/20 0.31
LMNA P02545 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
AOC3 Q16853 1/20 0.30
RRM1 P23921 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
SCHEMBL3909351 0.82 AOC3 (0.43) UGT2B7TSHRMAPK1FFAR1LMNA
SCHEMBL2947790 0.80 ALDH1A1 (0.42) MAPK1GRM5
SCHEMBL20866477 0.76 ALDH1A1 (0.55) UGT2B7CYP11B1CYP11B2AOC3
SCHEMBL1154290 0.76 ALDH1A1 (0.55) UGT2B7CYP11B1CYP11B2AOC3
SCHEMBL2636216 0.73 ALDH1A1 (0.58) PTGS2
SCHEMBL4394917 0.73 FFAR1 (0.38) PTGS2FFAR1GRM5LMNA
SCHEMBL4389167 0.72 GRM5 (0.35) PTGS2FFAR1GRM5LMNA
SCHEMBL19667841 0.72 ALDH1A1 (0.48) UGT2B7PTGS2TSHRCYP11B1CYP11B2
SCHEMBL8751846 0.72 KMT2A (0.36) TSHRMAPK1GRM5LMNA
SCHEMBL643648 0.71 FYN (0.40) TSHRFFAR1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P BRD4 239/4885BRD2 587/4885CREBBP 275/4885

“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.