SCHEMBL4336529

SCHEMBL4336529

CC(Cc1cccc(OCCOc2ccc(C3CCCCC3)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 0.43
PPARG P37231 6/20 0.43
PPARA Q07869 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
PPARD Q03181 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 1/20 0.41
S1PR1 P21453 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GAA P10253 1/20 0.39
STAT3 P40763 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
SCHEMBL4336229 0.99 MRGPRX4 (0.46) MRGPRX4FFAR1PPARGPPARAHRH3
SCHEMBL4337259 0.88 PPARG (0.52) MRGPRX4PPARGPPARAHRH3PPARD
SCHEMBL4334982 0.87 PPARG (0.52) MRGPRX4PPARGPPARAHRH3PPARD
SCHEMBL4338050 0.86 PPARG (0.50) MRGPRX4PPARGPPARAPPARD
SCHEMBL4337270 0.86 PPARG (0.50) MRGPRX4PPARGPPARAPPARDKDM4E
SCHEMBL4332364 0.85 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL4335092 0.84 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL4340261 0.80 MRGPRX4 (0.53) MRGPRX4FFAR1PPARGPPARAPPARD
SCHEMBL4337921 0.78 KMT2A (0.52) FFAR1PPARGPPARAPPARDKDM4E
SCHEMBL4347068 0.77 MRGPRX4 (0.50) MRGPRX4FFAR1PPARGPPARAPPARD

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.