SCHEMBL13312702

SCHEMBL13312702

CCOC(=O)CCc1ccc(COc2cccc3c2N(C(=O)c2cccc(C(F)(F)F)c2)CCC3)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRG P48443 4/20 0.47
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
AVPR2 P30518 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MRGPRX4 Q96LA9 4/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
PRKX P51817 1/20 0.36
IKBKE Q14164 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
GRIN2C Q14957 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL13312700 0.91 RXRA (0.53) RXRGRXRARXRBAVPR2MRGPRX4
SCHEMBL13312191 0.90 RXRA (0.59) RXRGRXRARXRBFFAR4MRGPRX4
SCHEMBL13312693 0.86 RXRA (0.54) RXRGRXRARXRBFFAR4MRGPRX4
SCHEMBL13312696 0.85 RXRA (0.53) RXRGRXRARXRBFFAR4MRGPRX4
SCHEMBL13312698 0.85 RXRA (0.52) RXRGRXRARXRBFFAR4MRGPRX4
SCHEMBL13312646 0.84 RXRA (0.49) RXRGRXRARXRBFFAR4MRGPRX4
SCHEMBL13312697 0.83 RXRA (0.51) RXRGRXRARXRBALDH1A1LMNA
SCHEMBL13312694 0.83 RXRA (0.51) RXRGRXRARXRBALDH1A1
SCHEMBL13312639 0.83 RXRA (0.55) RXRGRXRARXRBFFAR4MRGPRX4
SCHEMBL13312699 0.83 RXRA (0.50) RXRGRXRARXRBFFAR4MRGPRX4

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
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

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 RXRG 541/4885RXRA 475/4885RXRB 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.