SCHEMBL4906136

SCHEMBL4906136

CCOc1ccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
NR1H2 P55055 3/20 0.56
NR1H3 Q13133 3/20 0.56
RET P07949 5/20 0.35
PTGER2 P43116 1/20 0.35
PDE10A Q9Y233 4/20 0.35
MAPK14 Q16539 2/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CTSS P25774 1/20 0.34
KCNK3 O14649 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GNRHR P30968 1/20 0.33

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
SCHEMBL4908315 0.90 RXRA (0.58) RXRANR1H2NR1H3RETPDE10A
SCHEMBL4907959 0.89 RXRA (0.50) RXRANR1H2NR1H3RETPDE10A
SCHEMBL4897154 0.89 RXRA (0.50) RXRANR1H2NR1H3RETPDE10A
SCHEMBL4906666 0.89 RXRA (0.53) RXRANR1H2NR1H3RETPDE10A
SCHEMBL5615380 0.85 RXRA (0.58) RXRANR1H2NR1H3RETPTGER2
SCHEMBL2390284 0.85 NR1H2 (0.61) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2391504 0.85 RXRA (0.61) RXRANR1H2NR1H3RETPTGER2
SCHEMBL2390432 0.85 RXRA (0.61) RXRANR1H2NR1H3RETPTGER2
SCHEMBL5793484 0.83 RXRA (0.70) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2389451 0.83 RXRA (0.54) RXRANR1H2NR1H3RETPTGER2

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-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.