SCHEMBL4387790

SCHEMBL4387790

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCC(=O)NCCNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 3/20 0.37
MTNR1A P48039 6/20 0.37
MTNR1B P49286 5/20 0.36
POLB P06746 1/20 0.36
CAPN1 P07384 1/20 0.36
EGFR P00533 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4384780 0.91 CNR2 (0.40) KDM4ELMNAMAPTTHRBHPGD
SCHEMBL4384148 0.84 EGFR (0.40) KDM4EMAPTCAPN1EGFRALDH1A1
SCHEMBL4387139 0.84 EGFR (0.42) LMNACAPN1EGFR
SCHEMBL4385894 0.83 EGFR (0.41) MAPTPOLBCAPN1EGFR
SCHEMBL4381625 0.81 CD274 (0.43) KDM4EMTNR1AMTNR1BPOLBCAPN1
SCHEMBL4381319 0.79 HPGD (0.43) KDM4ELMNAMAPTHPGDEGFR
SCHEMBL4380658 0.78 TSHR (0.38) KDM4ELMNAMAPTHPGDEGFR
SCHEMBL4381984 0.78 EGFR (0.41) MAPTHPGDEGFRALDH1A1HSD17B10
SCHEMBL4384221 0.78 HPGD (0.40) KDM4ELMNAMAPTHPGDMTNR1A
SCHEMBL4381589 0.77 EGFR (0.37) KDM4EMAPTEGFRALDH1A1

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 KDM4E 3223/4885LMNA 4706/4885MAPT 2443/4885

“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.