SCHEMBL3415342

SCHEMBL3415342

COC(=O)c1cccc(-c2ccc(O)c(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
HDAC1 Q13547 1/20 0.51
EGFR P00533 2/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ANO1 Q5XXA6 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
MAPK1 P28482 1/20 0.42
PLAU P00749 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
PDK2 Q15119 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HPN P05981 1/20 0.40

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
SCHEMBL3416093 0.90 HDAC1 (0.54) ERN1HDAC1MAPK1HPN
SCHEMBL3415048 0.88 CA12 (0.44) ERN1HDAC1CA12CA9CA1
SCHEMBL3416346 0.88 PPARG (0.53) ERN1HDAC1CA12CA9CA1
SCHEMBL3414304 0.85 PPARD (0.43) ERN1HDAC1CA12CA9CA1
SCHEMBL2574484 0.85 HDAC1 (0.59) ERN1HDAC1CA12CA9CA1
SCHEMBL3412378 0.84 WDR5 (0.44) ERN1HDAC1CA12CA9CA1
SCHEMBL3415738 0.83 CHRM3 (0.51) ERN1HDAC1CA12CA9CA1
SCHEMBL3413782 0.83 PPARD (0.47) ERN1HDAC1CA12CA9CA1
SCHEMBL3416541 0.83 KCNA5 (0.49) HDAC1PDK2
SCHEMBL3416502 0.83 HDAC1 (0.44) HDAC1EGFRCA12CA9CA1

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR ERN1 1027/4885HDAC1 227/4885EGFR 814/4885

“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.