SCHEMBL3416517

SCHEMBL3416517

CC(C)(C)c1ccc(OCC(O)COc2ccc(-c3cccc(CC(=O)O)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.53
▸ NR1H3 Q13133 2/20 0.53
▸ RXRA P19793 2/20 0.53
▸ NR1H4 Q96RI1 2/20 0.47
▸ FFAR1 O14842 6/20 0.47
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43

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
SCHEMBL3419217 0.90 MAPT (0.48) NR1H2NR1H3RXRANR1H4FFAR1
SCHEMBL3416099 0.89 FFAR1 (0.52) NR1H2NR1H3RXRAFFAR1LMNA
SCHEMBL3416662 0.89 FFAR1 (0.60) NR1H2NR1H3RXRAFFAR1
SCHEMBL13008821 0.85 NR1H4 (0.60) NR1H2NR1H3RXRANR1H4RXRB
SCHEMBL3416365 0.85 CYP1A2 (0.50) NR1H2NR1H3RXRANR1H4FFAR1
SCHEMBL3411834 0.84 NR1H2 (0.55) NR1H2NR1H3RXRAFFAR1RXRB
SCHEMBL3416680 0.83 PLA2G4B (0.45) NR1H2NR1H3RXRANR1H4FFAR1
SCHEMBL13433653 0.82 MEN1 (0.46) RXRANR1H4FFAR1RXRBRXRG
SCHEMBL3416320 0.81 NR1H2 (0.51) NR1H2NR1H3RXRANR1H4FFAR1
SCHEMBL3418441 0.81 MEN1 (0.53) NR1H2NR1H3RXRANR1H4FFAR1

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 NR1H2 17/4885NR1H3 15/4885RXRA 31/4885

“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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