SCHEMBL3501658

SCHEMBL3501658

CCOC(=O)CCc1ccc(OCc2cccc3c2NCCC3)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.41
FFAR4 Q5NUL3 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SCN3A Q9NY46 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PARP1 P09874 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL3501852 0.94 FFAR1 (0.42) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13312055 0.88 RXRG (0.52) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13312631 0.85 FFAR1 (0.45) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3503712 0.84 RXRA (0.56) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13311850 0.83 PARP1 (0.40) RXRARXRBRXRGALDH1A1GAA
SCHEMBL3503170 0.82 PPARG (0.47) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13348222 0.81 ADORA2A (0.36) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13312619 0.80 PPARG (0.49) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13312656 0.79 FFAR1 (0.44) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL13312712 0.78 FFAR1 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
CN-101553469-A Carboxylic acid derivatives ASTELLAS PHARMA INC (JP) 2009-10-07 CN disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 FFAR1 14/4885FFAR4 15/4885RXRA 475/4885

“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.