SCHEMBL4336229

SCHEMBL4336229

CC(Cc1cccc(OCCOc2ccc(C3CCCC3)cc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
FFAR1 O14842 2/20 0.44
PPARG P37231 7/20 0.42
PPARD Q03181 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARA Q07869 4/20 0.41
S1PR1 P21453 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4336529 0.99 MRGPRX4 (0.46) MRGPRX4FFAR1PPARGPPARDKDM4E
SCHEMBL4338050 0.87 PPARG (0.50) MRGPRX4PPARGPPARDPPARA
SCHEMBL4337270 0.87 PPARG (0.50) MRGPRX4PPARGPPARDKDM4EPPARA
SCHEMBL4337259 0.86 PPARG (0.52) MRGPRX4PPARGPPARDPPARAHRH3
SCHEMBL4334982 0.86 PPARG (0.52) MRGPRX4PPARGPPARDPPARAHRH3
SCHEMBL4335092 0.85 PPARG (0.54) PPARGPPARDPPARA
SCHEMBL4332364 0.84 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL4340261 0.81 MRGPRX4 (0.53) MRGPRX4FFAR1PPARGPPARDKDM4E
SCHEMBL4337921 0.79 KMT2A (0.52) FFAR1PPARGPPARDKDM4EPPARA
SCHEMBL4347068 0.78 MRGPRX4 (0.50) MRGPRX4FFAR1PPARGPPARDKDM4E

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 MRGPRX4 428/4885FFAR1 17/4885PPARG 379/4885

“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.