SCHEMBL3501852

SCHEMBL3501852

CCOC(=O)CCc1ccc(OCc2cccc3c2NCC3)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
KCNH2 Q12809 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL3501658 0.94 FFAR1 (0.41) FFAR1FFAR4ALDH1A1GAACYP4F2
SCHEMBL13312055 0.81 RXRG (0.52) FFAR1FFAR4CYP4F2CYP4A11RXRA
SCHEMBL13312631 0.81 FFAR1 (0.45) FFAR1FFAR4ALDH1A1GAACYP4F2
SCHEMBL13312651 0.78 FFAR1 (0.40) FFAR1FFAR4ALDH1A1GAACYP4F2
SCHEMBL3503712 0.78 RXRA (0.56) FFAR1FFAR4ALDH1A1GAARXRA
SCHEMBL13311850 0.77 PARP1 (0.40) ALDH1A1GAACYP4F2CYP4A11HDAC6
SCHEMBL13312714 0.77 FFAR1 (0.41) FFAR1FFAR4ALDH1A1GAACYP4F2
SCHEMBL13312652 0.77 PTGER4 (0.41) FFAR1FFAR4ALDH1A1GAACYP4F2
SCHEMBL13312656 0.77 FFAR1 (0.44) FFAR1FFAR4ALDH1A1GAACYP4F2
SCHEMBL3503170 0.76 PPARG (0.47) 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 15/4885ALDH1A1 1850/4885

“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.