SCHEMBL3413848

SCHEMBL3413848

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ PPARD Q03181 3/20 0.45
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 3/20 0.44
▸ CTSA P10619 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ SCD O00767 1/20 0.41
▸ FFAR1 O14842 2/20 0.41

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
SCHEMBL3411834 0.87 NR1H2 (0.55) RXRANR1H2NR1H3PPARDRXRB
SCHEMBL3411776 0.86 MEN1 (0.43) PPARDCTSAFFAR1
SCHEMBL3418441 0.85 MEN1 (0.53) RXRANR1H2NR1H3PPARDFFAR1
SCHEMBL3419217 0.85 MAPT (0.48) RXRANR1H2NR1H3PPARDCTSA
SCHEMBL3417537 0.83 KMT2A (0.46) PPARDFFAR1
SCHEMBL3416662 0.80 FFAR1 (0.60) RXRANR1H2NR1H3PPARDMRGPRX4
SCHEMBL3410529 0.79 KMT2A (0.48) PPARDMRGPRX4
SCHEMBL13433587 0.79 RXRA (0.45) RXRANR1H2NR1H3PPARDRXRB
SCHEMBL3413908 0.79 RXRA (0.47) RXRANR1H2NR1H3PPARDRXRB
SCHEMBL3415786 0.78 MRGPRX4 (0.46) PPARDCTSAMRGPRX4FFAR1

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 — — US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 — — 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR RXRA 31/4885NR1H2 17/4885NR1H3 15/4885

“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.

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