SCHEMBL4386832

SCHEMBL4386832

CCc1c(O)cc(O)c(-c2ccc(F)c(Cl)c2)c1CCOCCO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.33
PTGS1 P23219 3/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
EGFR P00533 1/20 0.32
TSHR P16473 1/20 0.32
FYN P06241 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4383982 0.87 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL4386674 0.79 ESR1 (0.39) PTGS2
SCHEMBL4385061 0.79 PDE5A (0.39) PTGS2PTGS1TSHRMEN1KMT2A
SCHEMBL4384123 0.79 ESR1 (0.41)
SCHEMBL15225953 0.77
SCHEMBL4386749 0.73 PTGS2 (0.32) PTGS2PTGS1ERCC1ERCC4TSHR
SCHEMBL4391973 0.72 CNR2 (0.39) PTGS2TSHR
SCHEMBL4377963 0.72 CNR2 (0.39)
SCHEMBL4383767 0.72 ESR1 (0.35)
SCHEMBL4387349 0.71 ALDH1A1 (0.34) TSHRMEN1KMT2A

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 PTGS2 3878/4885PTGS1 3145/4885ERCC1 4193/4885

“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.