SCHEMBL3416367

SCHEMBL3416367

COC(=O)Cc1cccc(-c2ccc(OC)c(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
GLS O94925 2/20 0.41
SYK P43405 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
BRD4 O60885 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
SCHEMBL3418629 0.89 PPARA (0.45) PPARGPPARDPPARAPOLBHDAC1
SCHEMBL3413160 0.89 PPARG (0.44) PPARGPPARDPPARAHDAC1GLS
SCHEMBL3413751 0.88 HDAC1 (0.49) HDAC1ALDH1A1ITGA4ITGB7GLS
SCHEMBL3416527 0.86 GLS (0.52) HDAC1GLSSYKCTSBCTSS
SCHEMBL13433354 0.84 SYK (0.45) PPARGPPARDPPARAHDAC1ITGA4
SCHEMBL3415307 0.83 PPARD (0.63) PPARGPPARDPPARAHDAC1ALDH1A1
SCHEMBL3416346 0.83 PPARG (0.53) PPARGPPARDPPARAHDAC1ALDH1A1
SCHEMBL3410533 0.83 KCNA5 (0.50) HDAC1GLSCTSBCTSSCTSK
SCHEMBL3413605 0.82 PPARG (0.45) PPARGPPARDPPARAPOLBHDAC1
SCHEMBL3416895 0.81 MTNR1A (0.44) GLSMTNR1AMTNR1BBRD4CREBBP

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.