SCHEMBL4385952

SCHEMBL4385952

COCOc1cc(OCOC)c(-c2ccccc2)c(C(Br)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
CAPN1 P07384 4/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ROR1 Q01973 1/20 0.34
CD274 Q9NZQ7 3/20 0.33
GRM5 P41594 1/20 0.33
CLCN2 P51788 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL4389131 0.91 EGFR (0.40) EGFRCAPN1HDAC3HDAC4HDAC1
SCHEMBL4386781 0.84 EGFR (0.41) EGFRCAPN1PPARGPPARAHDAC3
SCHEMBL4380975 0.83 P2RX3 (0.35) EGFRPPARGPPARAHDAC3HDAC4
SCHEMBL2869221 0.82 EGFR (0.40) EGFRCAPN1HDAC3HDAC4HDAC1
SCHEMBL4390348 0.81 EGFR (0.40) EGFRCAPN1HDAC3HDAC4HDAC1
SCHEMBL4379885 0.80 EGFR (0.40) EGFRCAPN1GRM5
SCHEMBL4388446 0.80 EGFR (0.40) EGFRCAPN1HDAC3HDAC4HDAC1
SCHEMBL4393860 0.78 CAPN1 (0.46) EGFRCAPN1PPARGPPARACYP2C19
SCHEMBL2859932 0.75 ALDH1A1 (0.41) ROR1CYP2C19
SCHEMBL4392152 0.75 EGFR (0.45) EGFRCAPN1HDAC3HDAC4HDAC1

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 EGFR 624/4885CAPN1 1225/4885PPARG 1775/4885

“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.