SCHEMBL3412012

SCHEMBL3412012

COc1ccc(-c2cccc(/C=C/C(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CXCL12 P48061 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL3412018 1.00 HDAC1 (0.49) HDAC1HDAC6CXCL12PPARGPPARD
SCHEMBL13460767 0.89 PPARG (0.43) HDAC1HDAC6CXCL12PPARGPPARD
SCHEMBL13460821 0.89 PPARG (0.46) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL3413700 0.87 KDM4E (0.48) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL3413704 0.87 KDM4E (0.48) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL3416850 0.86 PSEN1 (0.48) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL3416847 0.86 PSEN1 (0.48) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL13460957 0.84 PPARG (0.42) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL3414230 0.84 PPARA (0.63) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL13433426 0.82 PPARD (0.47) PPARGPPARDPPARAHPGDNR1H4

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 HDAC1 227/4885HDAC6 1293/4885CXCL12 1103/4885

“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.