SCHEMBL13312649

SCHEMBL13312649

CCOC(=O)CCc1ccc(COc2cccc3c2N(Cc2ccccn2)CCC3)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.48
RXRG P48443 4/20 0.48
RXRB P28702 4/20 0.48
FFAR1 O14842 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PTGER4 P35408 2/20 0.36
PTGER2 P43116 2/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM6B O15054 1/20 0.35

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
SCHEMBL13312217 0.90 RXRG (0.60) RXRARXRGRXRBFFAR1HDAC3
SCHEMBL13312640 0.90 RXRA (0.54) RXRARXRGRXRBFFAR1PTGER4
SCHEMBL13312650 0.89 RXRA (0.49) RXRARXRGRXRBFFAR1HDAC3
SCHEMBL13312584 0.88 RXRA (0.54) RXRARXRGRXRBFFAR1PTGER4
SCHEMBL13312644 0.87 RXRG (0.47) RXRARXRGRXRBFFAR1HDAC3
SCHEMBL13312646 0.87 RXRA (0.49) RXRARXRGRXRBFFAR1PTGER4
SCHEMBL3501449 0.87 RXRA (0.50) RXRARXRGRXRBFFAR1HDAC1
SCHEMBL13312636 0.87 RXRA (0.53) RXRARXRGRXRBFFAR1PTGER4
SCHEMBL3502742 0.86 RXRA (0.53) RXRARXRGRXRBFFAR1PTGER4
SCHEMBL13312582 0.85 RXRA (0.51) RXRARXRGRXRBFFAR1PTGER4

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 1 patent. 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

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 RXRA 475/4885RXRG 541/4885RXRB 465/4885

“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.