SCHEMBL13312646

SCHEMBL13312646

CCOC(=O)CCc1ccc(COc2cccc3c2N(Cc2ccc(C(F)(F)F)cc2)CCC3)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.49
RXRG P48443 4/20 0.49
RXRB P28702 4/20 0.49
KDM1A O60341 2/20 0.42
PTGER4 P35408 5/20 0.40
PTGER2 P43116 4/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.38
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
PRKX P51817 1/20 0.36
IKBKE Q14164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL13312640 0.92 RXRA (0.54) RXRARXRGRXRBPTGER4PTGER2
SCHEMBL13312650 0.92 RXRA (0.49) RXRARXRGRXRBKDM1APTGER4
SCHEMBL3501449 0.91 RXRA (0.50) RXRARXRGRXRBKDM1APTGER4
SCHEMBL13312224 0.90 RXRG (0.61) RXRARXRGRXRBKDM1APTGER4
SCHEMBL13312584 0.89 RXRA (0.54) RXRARXRGRXRBPTGER4PTGER2
SCHEMBL13312641 0.89 RXRA (0.48) RXRARXRGRXRBKDM1APTGER4
SCHEMBL13312647 0.88 RXRA (0.50) RXRARXRGRXRBKDM1APTGER4
SCHEMBL13312636 0.87 RXRA (0.53) RXRARXRGRXRBPTGER4PTGER2
SCHEMBL13312649 0.87 RXRA (0.48) RXRARXRGRXRBPTGER4PTGER2
SCHEMBL13312644 0.87 RXRG (0.47) RXRARXRGRXRBKDM1APTGER4

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.