SCHEMBL3418802

SCHEMBL3418802

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
FPR2 P25090 4/20 0.45
NR1H4 Q96RI1 1/20 0.45
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
GAA P10253 2/20 0.43
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CFD P00746 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL13433594 0.90 FPR2 (0.45) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5267987 0.83 GAA (0.56) PTPN11NR1H4PDE4APDE4BPDE4C
SCHEMBL3416829 0.82 FFAR4 (0.50) NR1H4GAAALDH1A1GRIN2DGRIN3B
SCHEMBL3413422 0.81 SMPD1 (0.57) PTPN11NR1H4PDE4APDE4BPDE4C
SCHEMBL3419229 0.78 PTPN11 (0.49) PTPN11NR1H4PDE4APDE4BPDE4C
SCHEMBL3410515 0.76 GAA (0.70) PTPN11NR1H4GAAALDH1A1GRIN2D
SCHEMBL13206936 0.76 PKM (0.51) FPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL13433635 0.75 ALDH1A1 (0.46) GAAALDH1A1HPGD
SCHEMBL9068671 0.74 CA12 (0.59) NR1H4PDE4APDE4BPDE4CPDE4D
SCHEMBL23296176 0.74 GAA (0.52) PTPN11NR1H4GAAALDH1A1GRIN2D

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 3 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-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 PTPN11 838/4885FPR2 515/4885NR1H4 85/4885

“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.