SCHEMBL4382698

SCHEMBL4382698

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.37
CAPN1 P07384 3/20 0.36
DHODH Q02127 1/20 0.36
IKBKB O14920 1/20 0.36
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

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
SCHEMBL4393717 0.89 EGFR (0.41) EGFRALDH1A1MAPTFFAR1CAPN1
SCHEMBL2859415 0.85 EGFR (0.42) EGFRALDH1A1CAPN1DHODHHDAC3
SCHEMBL2857243 0.84 EGFR (0.39) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4392152 0.83 EGFR (0.45) EGFRALDH1A1CAPN1HDAC3HDAC4
SCHEMBL4386344 0.82 EGFR (0.41) EGFRDHODHHDAC3HDAC4HDAC1
SCHEMBL2866502 0.81 EGFR (0.43) EGFRALDH1A1MAPTCAPN1HDAC3
SCHEMBL4381418 0.80 EGFR (0.36) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4384140 0.80 EGFR (0.46) EGFRALDH1A1MAPTCAPN1HDAC3
SCHEMBL4386261 0.80 FFAR1 (0.38) EGFRALDH1A1LMNAMAPTFFAR1
SCHEMBL4382816 0.77 KDM4E (0.44) EGFRALDH1A1LMNAMAPTHDAC3

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 624/4885ALDH1A1 3520/4885LMNA 4706/4885

“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.