SCHEMBL3414067

SCHEMBL3414067

COC(=O)c1cc(-c2ccc(OC)c(CNC(=O)OC(C)(C)C)c2)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
KDM4E B2RXH2 5/20 0.38
TRPV1 Q8NER1 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
BDKRB1 P46663 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
KIT P10721 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
GSK3B P49841 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKAA1 Q13131 1/20 0.35
EGFR P00533 1/20 0.35
WDR5 P61964 1/20 0.35
HDAC1 Q13547 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3413999 0.91 EGFR (0.41) KCNA5KDM4ETRPV1PPARDPPARA
SCHEMBL13433374 0.90 KCNA5 (0.39) KCNA5TRPV1PPARDPPARABDKRB1
SCHEMBL3415566 0.87 PPARD (0.40) KCNA5KDM4ETRPV1PPARDPPARA
SCHEMBL3414359 0.85 BDKRB1 (0.40) TRPV1PPARDPPARAPPARGBDKRB1
SCHEMBL3414183 0.85 LMNA (0.43) KDM4EPPARDPPARAPPARGHPGD
SCHEMBL3412378 0.82 WDR5 (0.44) KCNA5TRPV1PPARDPPARAPPARG
SCHEMBL3416346 0.80 PPARG (0.53) KDM4ETRPV1PPARDPPARAPPARG
SCHEMBL3413109 0.79 KCNA5 (0.49) KCNA5BDKRB1HPGDNPSR1HTT
SCHEMBL3416618 0.78 PPARD (0.44) PPARDPPARAAAK1HDAC1ALDH1A1
SCHEMBL3413964 0.78 PPARG (0.38) KDM4EPPARDPPARAPPARGHDAC1

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 4 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-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 KCNA5 2463/4885KDM4E 3724/4885TRPV1 3091/4885

“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.