SCHEMBL3414014

SCHEMBL3414014

O=C(O)Cc1cccc(-c2ccc(C#CCOc3ccc(Cl)cc3Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.50
▸ PPARD Q03181 9/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ PTGER1 P34995 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ PTPN11 Q06124 1/20 0.42
▸ SHMT1 P34896 1/20 0.42
▸ SHMT2 P34897 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ CHRM1 P11229 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL3413838 0.90 FFAR1 (0.48) EGLN1PPARDMRGPRX4PTPN11SHMT1
SCHEMBL3418877 0.90 MRGPRX4 (0.47) EGLN1PPARDMRGPRX4TBXA2RPTGER1
SCHEMBL3416156 0.88 SCN9A (0.46) EGLN1TBXA2RPTGER1PTPN11FFAR1
SCHEMBL3416635 0.87 FFAR1 (0.50) EGLN1MRGPRX4SHMT1SHMT2ADAMTS5
SCHEMBL3413832 0.86 PTGDR2 (0.46) EGLN1PPARDMRGPRX4TBXA2RPTGER1
SCHEMBL3417780 0.85 EGLN1 (0.52) EGLN1PPARDTBXA2RPTGER1ADAMTS5
SCHEMBL3417093 0.83 NR1H4 (0.44) EGLN1PPARDTBXA2RPTGER1SHMT1
SCHEMBL3416378 0.82 FFAR1 (0.57) EGLN1PPARDFFAR1TSHR
SCHEMBL3411590 0.81 TBXA2R (0.42) PPARDMRGPRX4TBXA2RPTGER1PTPN11
SCHEMBL3419079 0.81 FFAR1 (0.46) EGLN1MRGPRX4PTPN11FFAR1

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 1407/4885PPARD 689/4885MRGPRX4 975/4885

“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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