SCHEMBL3410463

SCHEMBL3410463

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1ccc(Cl)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ SCN4A P35499 2/20 0.45
▸ ANO1 Q5XXA6 3/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ CTSA P10619 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SHMT1 P34896 1/20 0.41
▸ SHMT2 P34897 1/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ ANO2 Q9NQ90 1/20 0.40

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
SCHEMBL3410529 0.91 KMT2A (0.48) MRGPRX4TBXA2RPTGER1PTPN11MEN1
SCHEMBL3413257 0.89 PPARD (0.48) MRGPRX4SCN4AANO1TBXA2RPTGER1
SCHEMBL3417537 0.89 KMT2A (0.46) TBXA2RPTGER1PTPN11FFAR1PDE4A
SCHEMBL3411776 0.88 MEN1 (0.43) TBXA2RPTGER1PTPN11CTSAFFAR1
SCHEMBL3417436 0.87 SCN9A (0.44) TBXA2RPTGER1PTPN11MEN1KMT2A
SCHEMBL3415786 0.86 MRGPRX4 (0.46) MRGPRX4PTPN11CTSAFFAR1PDE4A
SCHEMBL3418441 0.84 MEN1 (0.53) PTPN11FFAR1FFAR4PDE4APDE4B
SCHEMBL3419217 0.80 MAPT (0.48) PTPN11CTSAFFAR1MEN1KMT2A
SCHEMBL3415044 0.79 PTGDR2 (0.45) MRGPRX4ANO1TBXA2RPTGER1PTPN11
SCHEMBL3418795 0.79 PPARD (0.47) MRGPRX4TBXA2RPTGER1PTPN11MEN1

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 MRGPRX4 975/4885SCN4A 423/4885ANO1 3177/4885

“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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