SCHEMBL4904530

SCHEMBL4904530

CN(C)Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.57
NR1H2 P55055 4/20 0.57
NR1H3 Q13133 4/20 0.57
P2RX7 Q99572 3/20 0.38
MAPK14 Q16539 5/20 0.37
GNRHR P30968 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 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
SCHEMBL2263564 0.84 NR1H2 (0.40) RXRANR1H2NR1H3GNRHRKDM4E
SCHEMBL4897287 0.83 KDM4E (0.52) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2387977 0.81 RXRA (0.66) RXRANR1H2NR1H3PTGS2
SCHEMBL2262731 0.80 RXRA (0.83) RXRANR1H2NR1H3MAPK14GNRHR
SCHEMBL12366310 0.79 RXRA (0.59) RXRANR1H2NR1H3P2RX7MAPK14
SCHEMBL14214400 0.78 RXRA (0.84) RXRANR1H2NR1H3P2RX7MAPK14
SCHEMBL2264665 0.76 NR1H2 (0.51) RXRANR1H2NR1H3GNRHRHTR2A
SCHEMBL14214340 0.75 RXRA (0.75) RXRANR1H2NR1H3MAPK14GNRHR
SCHEMBL2389756 0.74 RXRA (0.63) RXRANR1H2NR1H3PTGS2
SCHEMBL2390069 0.73 RXRA (0.78) RXRANR1H2NR1H3MAPK14GNRHR

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-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
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.