SCHEMBL2264449

SCHEMBL2264449

Cc1ccc(Cn2c(-c3ccc(Oc4ccc(C(C)(C)C)cc4C)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.55
NR1H3 Q13133 4/20 0.55
RXRA P19793 3/20 0.55
AR P10275 7/20 0.36
GLA P06280 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ESRRA P11474 1/20 0.33
DDR1 Q08345 1/20 0.33
FFAR1 O14842 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
SCHEMBL2386595 0.96 NR1H2 (0.52) NR1H2NR1H3RXRAARGLA
SCHEMBL2262136 0.95 NR1H2 (0.60) NR1H2NR1H3RXRAARGLA
SCHEMBL2264600 0.93 NR1H2 (0.60) NR1H2NR1H3RXRAARGLA
SCHEMBL2263174 0.92 RXRA (0.56) NR1H2NR1H3RXRAARGLA
SCHEMBL2265505 0.91 RXRA (0.58) NR1H2NR1H3RXRAARGLA
SCHEMBL2261843 0.90 NR1H2 (0.55) NR1H2NR1H3RXRAARGLA
SCHEMBL2261299 0.90 RXRA (0.50) NR1H2NR1H3RXRAARGLA
SCHEMBL2263589 0.89 NR1H2 (0.61) NR1H2NR1H3RXRAARGLA
SCHEMBL2388648 0.89 RXRA (0.53) NR1H2NR1H3RXRAARGLA
SCHEMBL2389421 0.89 NR1H2 (0.60) NR1H2NR1H3RXRAARGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“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.