SCHEMBL4387632

SCHEMBL4387632

CCc1c(OC(=O)OC)cc(OC(=O)OC)c(-c2cccc(C(=O)OC)c2)c1CCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
DHFR P00374 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SLC7A5 Q01650 1/20 0.37
PLAU P00749 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
MTNR1A P48039 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
SCHEMBL4384143 0.87 KDM4E (0.36)
SCHEMBL4384177 0.87 CNR2 (0.35)
SCHEMBL4386639 0.87 ESR1 (0.38)
SCHEMBL4384572 0.86 FNTA (0.39) ERN1CYP4F2CYP4A11CA12CA1
SCHEMBL4386523 0.84 RXRA (0.40)
SCHEMBL4385095 0.82 ESR1 (0.36)
SCHEMBL4385454 0.82 ALDH1A1 (0.34)
SCHEMBL4395183 0.81 SMN1; SMN2 (0.38) MTNR1AMTNR1B
SCHEMBL4381380 0.80 ERN1 (0.44) ERN1CYP4F2CYP4A11DHFRCA12
SCHEMBL4392560 0.74 CREBBP (0.39) ERN1CYP4F2CYP4A11CA12CA1

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 ERN1 1073/4885CYP4F2 2547/4885CYP4A11 1072/4885

“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.