SCHEMBL3416378

SCHEMBL3416378

O=C(O)Cc1cccc(-c2ccc(C#CCOc3ccc(-c4ccccc4)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.57
▸ EGLN1 Q9GZT9 1/20 0.52
▸ AKR1B1 P15121 1/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.49
▸ ABCC4 O15439 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ RXRA P19793 1/20 0.45

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
SCHEMBL3416635 0.93 FFAR1 (0.50) FFAR1EGLN1AKR1B1FFAR4GRIN2D
SCHEMBL3419226 0.93 FFAR1 (0.50) FFAR1EGLN1NR1H2NR1H3RXRA
SCHEMBL3418553 0.93 FFAR1 (0.55) FFAR1EGLN1AKR1B1FFAR4GRIN2D
SCHEMBL3413762 0.90 NR1H2 (0.55) FFAR1EGLN1NR1H2NR1H3RXRA
SCHEMBL3416320 0.90 NR1H2 (0.51) FFAR1EGLN1AKR1B1FFAR4LMNA
SCHEMBL3419079 0.89 FFAR1 (0.46) FFAR1EGLN1AKR1B1FFAR4GRIN2D
SCHEMBL3417780 0.89 EGLN1 (0.52) FFAR1EGLN1GRIN2DGRIN3BGRIN1
SCHEMBL3417453 0.87 FFAR1 (0.52) FFAR1EGLN1AKR1B1FFAR4GRIN2D
SCHEMBL3417532 0.86 FFAR1 (0.48) FFAR1EGLN1AKR1B1FFAR4NR1H2
SCHEMBL3415693 0.86 EGLN1 (0.54) FFAR1EGLN1FFAR4NR1H2NR1H3

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 FFAR1 25/4885EGLN1 1407/4885AKR1B1 319/4885

“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.

Send feedback