SCHEMBL4907967

SCHEMBL4907967

CCOc1cc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)o2)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.58
NR1H2 P55055 3/20 0.58
NR1H3 Q13133 3/20 0.58
MAPK14 Q16539 4/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
GNRHR P30968 1/20 0.31
HTR2A P28223 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL2388683 0.90 RXRA (0.62) RXRANR1H2NR1H3MAPK14MAPT
SCHEMBL2391561 0.89 RXRA (0.55) RXRANR1H2NR1H3MAPK14RXRB
SCHEMBL2386362 0.89 RXRA (0.60) RXRANR1H2NR1H3MAPK14MAPT
SCHEMBL2386370 0.87 RXRA (0.55) RXRANR1H2NR1H3MAPK14MAPT
SCHEMBL2385125 0.86 RXRA (0.65) RXRANR1H2NR1H3MAPK14RXRB
SCHEMBL2388509 0.86 RXRA (0.56) RXRANR1H2NR1H3MAPK14MAPT
SCHEMBL2386529 0.86 RXRA (0.55) RXRANR1H2NR1H3MAPK14MAPT
SCHEMBL2388676 0.85 RXRA (0.63) RXRANR1H2NR1H3MAPK14MAPT
SCHEMBL2388322 0.85 RXRA (0.55) RXRANR1H2NR1H3MAPK14RXRB
SCHEMBL2387398 0.84 RXRA (0.54) RXRANR1H2NR1H3MAPK14ALDH1A1

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.