SCHEMBL4335943

SCHEMBL4335943

CC(C)OC(Cc1cn(C)c2ccc(OCC(O)COc3ccc(C#N)cc3Br)cc12)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
SCN9A Q15858 2/20 0.34
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
CYP19A1 P11511 1/20 0.33
AR P10275 1/20 0.32
ADAM17 P78536 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
ALK Q9UM73 1/20 0.32
PLA2G4A P47712 1/20 0.32
TBXA2R P21731 1/20 0.32
NQO2 P16083 1/20 0.32
MCHR1 Q99705 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL13819347 0.89 MAPT (0.35) ALDH1A1ADAM17MTNR1AMTNR1BPLA2G4A
SCHEMBL4328073 0.84 PLA2G4A (0.38) PLA2G4A
SCHEMBL4348387 0.83 PPARG (0.43) FFAR1PPARGPPARA
SCHEMBL4329911 0.82 PLA2G4A (0.44) MTNR1AMTNR1BPLA2G4ANQO2PPARG
SCHEMBL4339112 0.82 MRGPRX4 (0.36) MTNR1AMTNR1BALKPLA2G4ANQO2
SCHEMBL4333190 0.82 TP53 (0.37) ALDH1A1MTNR1AMTNR1BNQO2
SCHEMBL4343659 0.81 PLA2G4A (0.41) FFAR1PLA2G4APPARGPPARA
SCHEMBL4331747 0.81 PPARG (0.42) ALDH1A1MTNR1AMTNR1BPLA2G4ANQO2
SCHEMBL4329073 0.80 FFAR1 (0.37) FFAR1ARPPARGPPARA
SCHEMBL4341174 0.80 PPARG (0.38) ALDH1A1MTNR1AMTNR1BPLA2G4ANQO2

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 FFAR1 17/4885SCN9A 789/4885ALDH1A1 844/4885

“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.