SCHEMBL4901894

SCHEMBL4901894

Cc1ccc(Cn2c(-c3ccc(Oc4ccc(C(F)(F)CF)cn4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
LIPE Q05469 6/20 0.35
IDO1 P14902 1/20 0.35
SCN9A Q15858 2/20 0.33
MGAT2 Q10469 1/20 0.33
P2RX3 P56373 2/20 0.33
USP30 Q70CQ3 2/20 0.33
UCHL1 P09936 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 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
SCHEMBL2389470 0.94 RXRA (0.53) RXRANR1H2NR1H3LIPEIDO1
SCHEMBL4901898 0.88 NR1H2 (0.52) RXRANR1H2NR1H3MGAT2P2RX3
SCHEMBL2385120 0.85 NR1H2 (0.54) RXRANR1H2NR1H3ALDH1A1GLA
SCHEMBL2266726 0.84 NR1H2 (0.65) RXRANR1H2NR1H3ALDH1A1GLA
SCHEMBL2264600 0.84 NR1H2 (0.60) RXRANR1H2NR1H3ALDH1A1GLA
SCHEMBL2387415 0.82 NR1H2 (0.59) RXRANR1H2NR1H3SCN9AMGAT2
SCHEMBL12390653 0.82 NR1H2 (0.60) RXRANR1H2NR1H3ALDH1A1GLA
SCHEMBL2391099 0.82 NR1H2 (0.60) RXRANR1H2NR1H3ALDH1A1GLA
SCHEMBL2262290 0.82 NR1H2 (0.62) RXRANR1H2NR1H3SCN9AALDH1A1
SCHEMBL2262577 0.82 NR1H2 (0.62) RXRANR1H2NR1H3ALDH1A1GLA

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 claimed

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.