SCHEMBL4904460

SCHEMBL4904460

N#Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)o2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.60
NR1H2 P55055 3/20 0.60
NR1H3 Q13133 3/20 0.60
PGR P06401 1/20 0.38
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
MAPK14 Q16539 2/20 0.33
RIPK3 Q9Y572 2/20 0.33
DPP4 P27487 1/20 0.33
CYP11B2 P19099 1/20 0.32
TNIK Q9UKE5 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL2385196 0.93 RXRA (0.62) RXRANR1H2NR1H3PGRALDH1A1
SCHEMBL2387278 0.91 RXRA (0.59) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2389437 0.89 RXRA (0.65) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2387830 0.89 RXRA (0.65) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2386995 0.88 RXRA (0.56) RXRANR1H2NR1H3PGRALDH1A1
SCHEMBL2389299 0.85 RXRA (0.68) RXRANR1H2NR1H3PGRALDH1A1
SCHEMBL2388683 0.85 RXRA (0.62) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2388488 0.85 RXRA (0.60) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2391218 0.84 RXRA (0.59) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2387308 0.84 RXRA (0.59) RXRANR1H2NR1H3ALDH1A1KDM4E

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.