SCHEMBL3418441

SCHEMBL3418441

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PDE4A P27815 2/20 0.47
▸ PDE4B Q07343 2/20 0.47
▸ PDE4C Q08493 2/20 0.47
▸ PDE4D Q08499 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.46
▸ FFAR1 O14842 4/20 0.45
▸ PPARD Q03181 2/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ RXRA P19793 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 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
SCHEMBL3417537 0.93 KMT2A (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3419217 0.91 MAPT (0.48) MEN1KMT2ANR1H4FFAR1PPARD
SCHEMBL3416099 0.89 FFAR1 (0.52) FFAR1PPARDLMNAAKR1B1FFAR4
SCHEMBL3411776 0.88 MEN1 (0.43) MEN1KMT2AFFAR1PPARDPTPN11
SCHEMBL3413848 0.85 RXRA (0.46) FFAR1PPARDRXRANR1H2NR1H3
SCHEMBL3410529 0.85 KMT2A (0.48) MEN1KMT2APPARDPTPN11SMN1; SMN2
SCHEMBL3410463 0.84 MRGPRX4 (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3415786 0.84 MRGPRX4 (0.46) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL3419188 0.82 FFAR1 (0.47) NR1H4FFAR1PPARDPTPN11FFAR4
SCHEMBL3413257 0.82 PPARD (0.48) FFAR1PPARDPTPN11FFAR4NR1H2

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 4 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

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 2276/4885PDE4A 4416/4885

“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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