SCHEMBL4385696

SCHEMBL4385696

COCOc1cc(CC(=O)OC)c(-c2ccc(OC(F)(F)F)cc2)c(OCOC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PTGER4 P35408 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
EGFR P00533 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
IDH1 O75874 1/20 0.36
ABL1 P00519 2/20 0.36
POLB P06746 1/20 0.36
PPARD Q03181 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SCN10A Q9Y5Y9 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
SCHEMBL4394973 0.89 PIM1 (0.39) MEN1KMT2ASMN1; SMN2MRGPRX4
SCHEMBL4390545 0.88 ROR1 (0.43) EGFRKDM4E
SCHEMBL4384140 0.84 EGFR (0.46) MEN1KMT2ASMN1; SMN2EGFRKDM4E
SCHEMBL2866502 0.84 EGFR (0.43) MEN1KMT2ASMN1; SMN2EGFRKDM4E
SCHEMBL4386233 0.83 EGFR (0.39) MEN1KMT2ASMN1; SMN2EGFRPPARD
SCHEMBL4378269 0.83 EGFR (0.38) KMT2AL3MBTL1PTGER4EGFRPOLB
SCHEMBL4388923 0.80 CCNC (0.41) SMN1; SMN2EGFRPOLBSLC6A2SLC6A4
SCHEMBL4381523 0.78 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL4390340 0.76 CFD (0.38) MEN1KMT2ASMN1; SMN2EGFR
SCHEMBL4389611 0.76 FYN (0.43) EGFR

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 MEN1 4784/4885KMT2A 3994/4885SMN1; SMN2 4471/4885

“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.