SCHEMBL4385894

SCHEMBL4385894

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
CAPN1 P07384 2/20 0.38
DPP4 P27487 5/20 0.36
CLCN2 P51788 1/20 0.34
FFAR1 O14842 1/20 0.34
PLA2G2A P14555 1/20 0.34
DHODH Q02127 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
NR4A2 P43354 1/20 0.33
LTB4R Q15722 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MAPT P10636 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
SCHEMBL4387139 0.92 EGFR (0.42) EGFRCAPN1FFAR1LTB4R
SCHEMBL4384148 0.89 EGFR (0.40) EGFRCAPN1CLCN2TP53LTB4R
SCHEMBL4380474 0.88 DPP4 (0.39) EGFRCAPN1DPP4DHODHFABP3
SCHEMBL4384888 0.86 DPP4 (0.39) EGFRCAPN1DPP4DHODHLTB4R
SCHEMBL4381984 0.85 EGFR (0.41) EGFRCLCN2DHODHFABP3FABP4
SCHEMBL4386776 0.84 EGFR (0.43) EGFRCAPN1CLCN2POLBFABP3
SCHEMBL4384780 0.84 CNR2 (0.40) EGFRPOLBMAPT
SCHEMBL4379642 0.84 EGFR (0.37) EGFRCLCN2TP53MAPT
SCHEMBL4386982 0.83 EGFR (0.40) EGFRDHODHCD274POLBLTB4R
SCHEMBL4387790 0.83 KDM4E (0.38) EGFRCAPN1POLBMAPT

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 1225/4885DPP4 4407/4885

“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.