SCHEMBL3418889

SCHEMBL3418889

COc1ccc(-c2ccc(OC)c(C(=O)O)c2)cc1CNC(=O)c1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
PDE4A P27815 5/20 0.45
PDE4B Q07343 5/20 0.45
PDE4C Q08493 5/20 0.45
PDE4D Q08499 5/20 0.45
EPHX2 P34913 5/20 0.45
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ACLY P53396 1/20 0.40
RIPK1 Q13546 1/20 0.40
WDR5 P61964 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
SCHEMBL3412588 0.90 PPARD (0.60) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL13460778 0.85 EPHX2 (0.44) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL3416718 0.85 PPARD (0.48) PPARGPPARDPPARAEPHX2ROCK2
SCHEMBL3416041 0.83 LMNA (0.50) PPARGPPARDPPARAROCK2ROCK1
SCHEMBL3413717 0.83 PPARD (0.48) PPARGPPARDPPARAROCK2ROCK1
SCHEMBL6506584 0.79 PPARA (0.46) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL3411792 0.79 ACLY (0.48) PPARGPPARDPPARAROCK2ROCK1
SCHEMBL3416755 0.78 PPARD (0.45) PPARGPPARDPPARAROCK2ROCK1
SCHEMBL5031904 0.78 PDE4A (0.44) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6498076 0.78 PPARA (0.47) PPARGPPARDPPARAPDE4APDE4B

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 5 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-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 PPARG 238/4885PPARD 689/4885PPARA 130/4885

“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.