SCHEMBL3411776

SCHEMBL3411776

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CASR P41180 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ CTSA P10619 1/20 0.42
▸ TBXA2R P21731 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PPARD Q03181 3/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PPARG P37231 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
SCHEMBL3417537 0.91 KMT2A (0.46) MEN1KMT2APTPN11TBXA2RPTGER1
SCHEMBL3410529 0.89 KMT2A (0.48) MEN1KMT2APTPN11TBXA2RPTGER1
SCHEMBL3410463 0.88 MRGPRX4 (0.46) MEN1KMT2APTPN11CTSATBXA2R
SCHEMBL3418441 0.88 MEN1 (0.53) MEN1KMT2APTPN11PPARDFFAR1
SCHEMBL13433653 0.87 MEN1 (0.46) MEN1KMT2ACASRTBXA2RPTGER1
SCHEMBL3413848 0.86 RXRA (0.46) CTSAPPARDFFAR1
SCHEMBL3417436 0.85 SCN9A (0.44) MEN1KMT2APTPN11TBXA2RPTGER1
SCHEMBL3415786 0.84 MRGPRX4 (0.46) KMT2APTPN11CTSAPPARDFFAR1
SCHEMBL3419217 0.83 MAPT (0.48) MEN1KMT2APTPN11CTSAPPARD
SCHEMBL3413257 0.81 PPARD (0.48) PTPN11TBXA2RPTGER1PPARDFFAR1

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 MEN1 3653/4885KMT2A 2276/4885CASR 393/4885

“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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