SCHEMBL3472995

SCHEMBL3472995

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCC1c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
CNR1 P21554 2/20 0.45
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
NR3C2 P08235 1/20 0.43
SCD5 Q86SK9 2/20 0.41
PTGS2 P35354 3/20 0.40
ROCK2 O75116 2/20 0.39
PTGS1 P23219 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
EIF4A3 P38919 1/20 0.37

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
SCHEMBL3472851 0.93 RXRA (0.51) RXRANR1H2NR1H3CNR1CCNC
SCHEMBL3473191 0.93 RXRA (0.49) RXRANR1H2NR1H3CNR1NR3C2
SCHEMBL3473959 0.93 CNR1 (0.53) RXRANR1H2NR1H3CNR1CCNC
SCHEMBL3474064 0.92 RXRA (0.48) RXRANR1H2NR1H3CNR1CCNC
SCHEMBL3475148 0.91 RXRA (0.47) RXRANR1H2NR1H3CNR1CCNC
SCHEMBL3473659 0.90 RXRA (0.47) RXRANR1H2NR1H3CNR1CCNC
SCHEMBL3471953 0.90 RXRA (0.46) RXRANR1H2NR1H3CNR1CCNC
SCHEMBL3471554 0.90 SCD5 (0.47) RXRANR1H2NR1H3CNR1SCD5
SCHEMBL3472779 0.89 RXRA (0.48) RXRANR1H2NR1H3CNR1NR3C2
SCHEMBL3472589 0.89 RXRA (0.48) RXRANR1H2NR1H3CNR1NR3C2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 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.