SCHEMBL2262608

SCHEMBL2262608

COC(=O)CCCOc1cccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
GNRHR P30968 3/20 0.42
CYP3A4 P08684 3/20 0.42
AR P10275 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2266017 0.91 RXRA (0.49) RXRANR1H2NR1H3GNRHRCYP3A4
SCHEMBL2262797 0.91 RXRA (0.49) RXRANR1H2NR1H3ARKDM4E
SCHEMBL2263643 0.88 RXRA (0.53) RXRANR1H2NR1H3GNRHRCYP3A4
SCHEMBL2264654 0.88 RXRA (0.51) RXRANR1H2NR1H3GNRHRCYP3A4
SCHEMBL2261157 0.86 RXRA (0.52) RXRANR1H2NR1H3ARKDM4E
SCHEMBL2262165 0.85 RXRA (0.51) RXRANR1H2NR1H3ARKDM4E
SCHEMBL2260085 0.85 RXRA (0.55) RXRANR1H2NR1H3ARKDM4E
SCHEMBL2263553 0.85 RXRA (0.55) RXRANR1H2NR1H3CYP3A4AR
SCHEMBL2262226 0.84 NR1H2 (0.49) RXRANR1H2NR1H3GNRHRCYP3A4
SCHEMBL2266370 0.84 NR1H2 (0.54) RXRANR1H2NR1H3ARKDM4E

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
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP 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 RXRA 16/4885NR1H2 1/4885NR1H3 2/4885

“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.