SCHEMBL3416680

SCHEMBL3416680

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 1/20 0.45
▸ FFAR1 O14842 6/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ CFD P00746 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ RXRA P19793 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ PTPN11 Q06124 2/20 0.42
▸ PPARD Q03181 2/20 0.41
▸ ALDH1A1 P00352 1/20 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
SCHEMBL3416099 0.90 FFAR1 (0.52) FFAR1FFAR4AKR1B1NR1H2NR1H3
SCHEMBL13433653 0.90 MEN1 (0.46) FFAR1FFAR4AKR1B1CFDNR1H4
SCHEMBL3416365 0.88 CYP1A2 (0.50) FFAR1FFAR4AKR1B1NR1H4NR1H2
SCHEMBL3411834 0.84 NR1H2 (0.55) FFAR1FFAR4NR1H2NR1H3RXRA
SCHEMBL3416662 0.83 FFAR1 (0.60) FFAR1NR1H2NR1H3RXRAPPARD
SCHEMBL3416517 0.83 NR1H2 (0.53) FFAR1FFAR4AKR1B1NR1H4NR1H2
SCHEMBL3418795 0.81 PPARD (0.47) NR1H4PTPN11PPARDGAA
SCHEMBL3418441 0.80 MEN1 (0.53) FFAR1FFAR4AKR1B1NR1H4NR1H2
SCHEMBL3419188 0.80 FFAR1 (0.47) FFAR1FFAR4NR1H4NR1H2NR1H3
SCHEMBL3413257 0.80 PPARD (0.48) FFAR1FFAR4NR1H2NR1H3PTPN11

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-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 PLA2G4B 2623/4885FFAR1 25/4885FFAR4 120/4885

“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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