SCHEMBL4339633

SCHEMBL4339633

CC(C)OC(Cc1ccc(OCC(O)COc2cccc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.55
PPARA Q07869 12/20 0.55
PPARD Q03181 6/20 0.55
CASR P41180 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL4332267 0.92 PPARG (0.47) PPARGPPARAPPARDCASRADRB1
SCHEMBL4327605 0.89 PPARG (0.55) PPARGPPARAPPARDCYP1A2
SCHEMBL4327608 0.89 PPARG (0.55) PPARGPPARAPPARDCYP1A2
SCHEMBL4327614 0.89 PPARG (0.55) PPARGPPARAPPARDCYP1A2
SCHEMBL4334094 0.89 PPARA (0.59) PPARGPPARAPPARDCYP1A2
SCHEMBL4335005 0.88 PPARG (0.56) PPARGPPARAPPARDADRB2ADRB1
SCHEMBL4332162 0.87 PPARA (0.50) PPARGPPARAPPARD
SCHEMBL4339632 0.87 PPARG (0.54) PPARGPPARAPPARDMAOB
SCHEMBL4348570 0.85 PPARA (0.51) PPARGPPARAPPARDCYP1A2CYP2D6
SCHEMBL4336261 0.85 PPARA (0.50) PPARGPPARAPPARD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN 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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN 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 PPARG 379/4885PPARA 339/4885PPARD 753/4885

“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.