SCHEMBL4331391

SCHEMBL4331391

Cc1ccc(OCC(F)Cc2cccc(CC(OC(C)C)C(=O)O)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.45
PPARG P37231 9/20 0.42
PPARA Q07869 9/20 0.42
PPARD Q03181 5/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL4331394 1.00 MRGPRX4 (0.45) MRGPRX4PPARGPPARAPPARDPOLB
SCHEMBL4336975 0.91 MRGPRX4 (0.43) MRGPRX4PPARGPPARAPPARDPOLB
SCHEMBL4327930 0.91 MRGPRX4 (0.43) MRGPRX4PPARGPPARAPPARDPOLB
SCHEMBL4327927 0.91 MRGPRX4 (0.43) MRGPRX4PPARGPPARAPPARDPOLB
SCHEMBL4329835 0.84 MRGPRX4 (0.43) MRGPRX4PPARGPPARAPPARDKMT2A
SCHEMBL4329829 0.84 MRGPRX4 (0.43) MRGPRX4PPARGPPARAPPARDKMT2A
SCHEMBL4333246 0.84 MRGPRX4 (0.43) MRGPRX4PPARGPPARAPPARDKMT2A
SCHEMBL4336482 0.82 PPARA (0.53) MRGPRX4PPARGPPARAPPARDALDH1A1
SCHEMBL6651371 0.82 PPARA (0.53) MRGPRX4PPARGPPARAPPARDALDH1A1
SCHEMBL4336480 0.82 PPARA (0.53) MRGPRX4PPARGPPARAPPARDALDH1A1

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 3 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-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 428/4885PPARG 379/4885PPARA 339/4885

“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.