SCHEMBL4346189

SCHEMBL4346189

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PPARA Q07869 12/20 0.47
PPARG P37231 10/20 0.45
PPARD Q03181 7/20 0.45
ELANE P08246 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.41
MMP1 P03956 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL4343682 0.89 PPARA (0.47) CYP1A2CYP2C9CYP2C19PPARAPPARG
SCHEMBL4336608 0.88 PPARG (0.42) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4327205 0.87 ATM (0.42) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL13810557 0.86 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL4339373 0.85 PPARA (0.48) CYP1A2CYP2C9CYP2C19PPARAPPARG
SCHEMBL4345878 0.85 PPARA (0.50) CYP1A2CYP2C9CYP2C19PPARAPPARG
SCHEMBL4347011 0.84 SMN1; SMN2 (0.39) PPARAPPARGMEN1KMT2A
SCHEMBL4347121 0.84 RECQL (0.38) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL4347142 0.81 MEN1 (0.52) CYP1A2CYP2C9CYP2C19PPARAPPARG
SCHEMBL4334181 0.81 MEN1 (0.52) CYP1A2CYP2C9CYP2C19PPARAPPARG

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 CYP1A2 1508/4885CYP2C9 2186/4885CYP2C19 2209/4885

“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.