SCHEMBL3410529

SCHEMBL3410529

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ PPARD Q03181 6/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ IDE P14735 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MRGPRX4 Q96LA9 3/20 0.44
▸ TBXA2R P21731 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 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
SCHEMBL3415786 0.91 MRGPRX4 (0.46) KMT2APPARDLMNAGAANPSR1
SCHEMBL3410463 0.91 MRGPRX4 (0.46) KMT2APPARDMEN1LMNASMN1; SMN2
SCHEMBL3417537 0.90 KMT2A (0.46) KMT2APPARDMEN1GAATBXA2R
SCHEMBL3411776 0.89 MEN1 (0.43) KMT2APPARDMEN1TBXA2RPTGER1
SCHEMBL3418795 0.88 PPARD (0.47) KMT2APPARDMEN1LMNAGAA
SCHEMBL3417436 0.88 SCN9A (0.44) KMT2APPARDMEN1GAATBXA2R
SCHEMBL3418441 0.85 MEN1 (0.53) KMT2APPARDMEN1LMNASMN1; SMN2
SCHEMBL3412410 0.81 PPARD (0.50) PPARDMRGPRX4TBXA2RPTGER1PTPN11
SCHEMBL3419217 0.80 MAPT (0.48) KMT2APPARDMEN1LMNAGAA
SCHEMBL23296176 0.80 GAA (0.52) PPARDGAASMN1; SMN2TBXA2RPTGER1

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 KMT2A 2276/4885PPARD 689/4885MEN1 3653/4885

“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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