SCHEMBL3416635

SCHEMBL3416635

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.50
▸ EGLN1 Q9GZT9 4/20 0.47
▸ SHMT1 P34896 1/20 0.46
▸ SHMT2 P34897 1/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ RXRA P19793 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 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
SCHEMBL3416378 0.93 FFAR1 (0.57) FFAR1EGLN1AKR1B1FFAR4NR1H2
SCHEMBL3417780 0.91 EGLN1 (0.52) FFAR1EGLN1ADAMTS5NR1H4RXRA
SCHEMBL3419079 0.89 FFAR1 (0.46) FFAR1EGLN1NR1H4AKR1B1FFAR4
SCHEMBL3419226 0.89 FFAR1 (0.50) FFAR1EGLN1NR1H2NR1H3RXRA
SCHEMBL3418553 0.89 FFAR1 (0.55) FFAR1EGLN1AKR1B1FFAR4NR1H2
SCHEMBL3414014 0.87 EGLN1 (0.50) FFAR1EGLN1SHMT1SHMT2ADAMTS5
SCHEMBL3417093 0.87 NR1H4 (0.44) FFAR1EGLN1SHMT1SHMT2ADAMTS5
SCHEMBL3413762 0.86 NR1H2 (0.55) FFAR1EGLN1MRGPRX4NR1H2NR1H3
SCHEMBL3416320 0.86 NR1H2 (0.51) FFAR1EGLN1NR1H4AKR1B1FFAR4
SCHEMBL3418877 0.85 MRGPRX4 (0.47) FFAR1EGLN1SHMT1SHMT2FFAR4

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 1407/4885SHMT1 1801/4885

“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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