SCHEMBL3415693

SCHEMBL3415693

O=C(O)Cc1cccc(-c2ccc(C#CCOc3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.54
▸ RXRA P19793 5/20 0.52
▸ NR1H2 P55055 2/20 0.52
▸ NR1H3 Q13133 2/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ FFAR1 O14842 7/20 0.46
▸ RXRB P28702 4/20 0.44
▸ RXRG P48443 4/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ NR4A2 P43354 1/20 0.43
▸ GPR34 Q9UPC5 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL3413762 0.92 NR1H2 (0.55) EGLN1RXRANR1H2NR1H3MRGPRX4
SCHEMBL3416922 0.91 RXRA (0.55) EGLN1RXRANR1H2NR1H3FFAR1
SCHEMBL3506112 0.86 RXRA (0.45) EGLN1RXRANR1H2NR1H3FFAR1
SCHEMBL3416378 0.86 FFAR1 (0.57) EGLN1RXRANR1H2NR1H3FFAR1
SCHEMBL13433587 0.85 RXRA (0.45) EGLN1RXRANR1H2NR1H3MRGPRX4
SCHEMBL3417780 0.84 EGLN1 (0.52) EGLN1RXRAFFAR1RXRBRXRG
SCHEMBL3507868 0.83 EGLN1 (0.48) EGLN1RXRANR1H2NR1H3MRGPRX4
SCHEMBL3416320 0.83 NR1H2 (0.51) EGLN1RXRANR1H2NR1H3FFAR1
SCHEMBL3418553 0.82 FFAR1 (0.55) EGLN1RXRANR1H2NR1H3FFAR1
SCHEMBL3416635 0.82 FFAR1 (0.50) EGLN1RXRANR1H2NR1H3MRGPRX4

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 EGLN1 1407/4885RXRA 31/4885NR1H2 17/4885

“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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