SCHEMBL4384140

SCHEMBL4384140

COCOc1cc(CC(=O)OC)c(-c2ccc(-c3ccccc3)cc2)c(OCOC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
ACLY P53396 1/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.38
RIOK2 Q9BVS4 1/20 0.36
XDH P47989 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CAPN1 P07384 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
HDAC3 O15379 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
SCHEMBL2866502 0.98 EGFR (0.43) EGFRACLYALDH1A1MAPTKDM4E
SCHEMBL4386233 0.92 EGFR (0.39) EGFRACLYALDH1A1MAPTKDM4E
SCHEMBL4390545 0.89 ROR1 (0.43) EGFRALDH1A1MAPTKDM4EHDAC3
SCHEMBL4388923 0.88 CCNC (0.41) EGFRACLYSMN1; SMN2HTT
SCHEMBL4378484 0.88 FFAR4 (0.38) EGFRACLYALDH1A1KDM4E
SCHEMBL4378269 0.87 EGFR (0.38) EGFRACLYALDH1A1MAPTKMT2A
SCHEMBL4393717 0.86 EGFR (0.41) EGFRALDH1A1MAPTKDM4EMEN1
SCHEMBL4385696 0.84 MEN1 (0.43) EGFRKDM4EMEN1KMT2ATDP1
SCHEMBL4390340 0.84 CFD (0.38) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL4389611 0.84 FYN (0.43) EGFRACLYCAPN1

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 624/4885ACLY 2383/4885ALDH1A1 3520/4885

“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.