SCHEMBL4907809

SCHEMBL4907809

CCSc1ncc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)o2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.53
NR1H2 P55055 3/20 0.53
NR1H3 Q13133 3/20 0.53
RXFP1 Q9HBX9 5/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPK14 Q16539 3/20 0.32
LMNA P02545 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
SCHEMBL2388171 0.90 RXRA (0.49) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2391216 0.86 RXRA (0.63) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2389405 0.85 RXRA (0.52) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2386370 0.84 RXRA (0.55) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2390582 0.83 RXRA (0.57) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2386365 0.82 RXRA (0.51) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2390155 0.81 RXRA (0.60) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2387278 0.81 RXRA (0.59) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2390222 0.81 RXRA (0.61) RXRANR1H2NR1H3RXFP1MAPT
SCHEMBL2390666 0.81 RXRA (0.59) RXRANR1H2NR1H3MAPTALDH1A1

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.