SCHEMBL4394443

SCHEMBL4394443

COCOc1cc(CC(=O)OC)c(-c2ccccc2Cl)c(OCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
VEGFA P15692 1/20 0.38
FLT1 P17948 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
CLCN2 P51788 1/20 0.37
ACLY P53396 1/20 0.37
TSHR P16473 4/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4386409 0.87 ESR1 (0.39) TSHRLMNAGAAHTTCYP1A2
SCHEMBL4386175 0.84 L3MBTL1 (0.40) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL2866502 0.83 EGFR (0.43) CLCN2ACLYCYP1A2CYP2C19ALDH1A1
SCHEMBL4384140 0.81 EGFR (0.46) ACLYHTTCYP1A2ALDH1A1TDP1
SCHEMBL4388923 0.80 CCNC (0.41) ACLYHTTGRM5EGFRCDK8
SCHEMBL4386691 0.79 KDM4E (0.48) LMNACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4386233 0.79 EGFR (0.39) ACLYCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL4390545 0.78 ROR1 (0.43) TSHRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4386004 0.77 P2RX3 (0.36) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4382066 0.77 ALDH1A1 (0.36) TSHRLMNACYP1A2CYP3A4CYP2D6

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 PDK2 4418/4885VEGFA 4631/4885FLT1 1802/4885

“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.