SCHEMBL3411834

SCHEMBL3411834

O=C(O)Cc1cccc(-c2ccc(OCC(O)COc3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.55
▸ NR1H3 Q13133 2/20 0.55
▸ RXRA P19793 2/20 0.55
▸ FFAR1 O14842 7/20 0.52
▸ GPR34 Q9UPC5 1/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL3416662 0.92 FFAR1 (0.60) NR1H2NR1H3RXRAFFAR1MRGPRX4
SCHEMBL3413848 0.87 RXRA (0.46) NR1H2NR1H3RXRAFFAR1MRGPRX4
SCHEMBL3416099 0.86 FFAR1 (0.52) NR1H2NR1H3RXRAFFAR1PPARD
SCHEMBL3416680 0.84 PLA2G4B (0.45) NR1H2NR1H3RXRAFFAR1PPARD
SCHEMBL13433653 0.84 MEN1 (0.46) RXRAFFAR1GPR34PPARDRXRB
SCHEMBL3416517 0.84 NR1H2 (0.53) NR1H2NR1H3RXRAFFAR1RXRB
SCHEMBL13460803 0.83 NR4A2 (0.66) NR1H2NR1H3RXRAFFAR1GPR34
SCHEMBL3416365 0.82 CYP1A2 (0.50) NR1H2NR1H3RXRAFFAR1GPR34
SCHEMBL3415693 0.81 EGLN1 (0.54) NR1H2NR1H3RXRAFFAR1GPR34
SCHEMBL23296145 0.79 RXRA (0.58) NR1H2NR1H3RXRARXRBRXRG

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 NR1H2 17/4885NR1H3 15/4885RXRA 31/4885

“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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