SCHEMBL4388446

SCHEMBL4388446

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
CAPN1 P07384 4/20 0.39
GRM5 P41594 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
FYN P06241 1/20 0.33
ROR1 Q01973 1/20 0.33
CLCN2 P51788 1/20 0.33

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
SCHEMBL4380826 0.89 CAPN1 (0.38) CAPN1RAB9ACD274CYP2C19TP53
SCHEMBL4389131 0.85 EGFR (0.40) EGFRCAPN1GRM5GAARAB9A
SCHEMBL4390348 0.85 EGFR (0.40) EGFRCAPN1GRM5GAARAB9A
SCHEMBL4379885 0.84 EGFR (0.40) EGFRCAPN1GRM5GAARAB9A
SCHEMBL4393860 0.82 CAPN1 (0.46) EGFRCAPN1GAARAB9ACYP2C19
SCHEMBL4385956 0.80 KDM4E (0.40) RAB9A
SCHEMBL4385952 0.80 EGFR (0.42) EGFRCAPN1GRM5HDAC3HDAC4
SCHEMBL4381644 0.80 HDAC8 (0.32) CAPN1GRM5HDAC8
SCHEMBL2869221 0.79 EGFR (0.40) EGFRCAPN1HDAC3HDAC4HDAC1
SCHEMBL4386781 0.79 EGFR (0.41) 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 1225/4885GRM5 3023/4885

“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.