SCHEMBL1123025

SCHEMBL1123025

O=C(O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.67
FFAR4 Q5NUL3 6/20 0.67
PLA2G4A P47712 1/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
SLC13A5 Q86YT5 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SERPINE1 P05121 1/20 0.49
AKR1B1 P15121 1/20 0.49
AURKA O14965 1/20 0.49
TPX2 Q9ULW0 1/20 0.49

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
SCHEMBL584599 0.95 FFAR1 (0.64) FFAR1FFAR4PLA2G4ALMNAL3MBTL1
SCHEMBL4046194 0.89 FFAR1 (0.56) FFAR1FFAR4RXRASLC13A5SERPINE1
SCHEMBL22721288 0.86 FFAR1 (0.52) FFAR1FFAR4SLC13A5LMNASERPINE1
SCHEMBL24264814 0.85 HDAC3 (0.55) FFAR1FFAR4PLA2G4ARXRA
SCHEMBL30488635 0.84 FFAR1 (0.54) FFAR1FFAR4PLA2G4ALMNAL3MBTL1
SCHEMBL28018674 0.83 F2RL1 (0.51) FFAR1FFAR4PLA2G4A
SCHEMBL1746676 0.83 FFAR1 (0.72) FFAR1FFAR4AKR1B1
SCHEMBL3859024 0.81 FFAR4 (0.51) FFAR1FFAR4PLA2G4ASLC13A5AURKA
SCHEMBL22987222 0.81 EPHX2 (0.69) FFAR1FFAR4
SCHEMBL3533619 0.80 FFAR1 (0.87) FFAR1FFAR4RXRARXRBRXRG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP claimed
US-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-09-03 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-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 FFAR1 4048/4885FFAR4 4441/4885PLA2G4A 1524/4885

“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.