SCHEMBL13312700

SCHEMBL13312700

CCOC(=O)CCc1ccc(COc2cccc3c2N(C(=O)c2ccccc2)CCC3)cc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.53
RXRB P28702 6/20 0.53
RXRG P48443 5/20 0.53
MRGPRX4 Q96LA9 5/20 0.40
AVPR2 P30518 3/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR1 O14842 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
SCHEMBL13312702 0.91 RXRG (0.47) RXRARXRBRXRGMRGPRX4AVPR2
SCHEMBL13312693 0.90 RXRA (0.54) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL13312186 0.90 RXRB (0.65) RXRARXRBRXRGMRGPRX4FFAR1
SCHEMBL13312696 0.90 RXRA (0.53) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL13312698 0.89 RXRA (0.52) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL13312697 0.87 RXRA (0.51) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL13312694 0.87 RXRA (0.51) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL13312639 0.87 RXRA (0.55) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL13312699 0.87 RXRA (0.50) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL13312640 0.86 RXRA (0.54) RXRARXRBRXRGMRGPRX4PTGER4

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

“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.