SCHEMBL4378484

SCHEMBL4378484

COCOc1cc(CC(=O)OC)c(-c2cccc(Oc3ccccc3)c2)c(OCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 2/20 0.38
EGFR P00533 1/20 0.38
ACLY P53396 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
PTGS1 P23219 1/20 0.36
PPARG P37231 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
SCHEMBL4386233 0.91 EGFR (0.39) FFAR4FFAR1EGFRACLYKDM4E
SCHEMBL2866502 0.90 EGFR (0.43) EGFRACLYKDM4EALDH1A1
SCHEMBL4384140 0.88 EGFR (0.46) EGFRACLYKDM4EALDH1A1
SCHEMBL4394973 0.85 PIM1 (0.39)
SCHEMBL4390340 0.84 CFD (0.38) EGFRALDH1A1
SCHEMBL4389611 0.84 FYN (0.43) FFAR1EGFRACLY
SCHEMBL4388923 0.84 CCNC (0.41) EGFRACLYPPARG
SCHEMBL4384801 0.83 MTNR1A (0.37) EGFRACLYKDM4EALDH1A1
SCHEMBL4386761 0.82 EGLN1 (0.42) ALDH1A1
SCHEMBL4379573 0.81 ALDH1A1 (0.43) GAAKDM4EALDH1A1

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 FFAR4 2854/4885FFAR1 1445/4885EGFR 624/4885

“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.