SCHEMBL3474986

SCHEMBL3474986

O=C(O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1CCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.47
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
CNR1 P21554 1/20 0.38
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SLC5A1 P13866 1/20 0.36
MARS1 P56192 1/20 0.36
PTGS1 P23219 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
CCR4 P51679 1/20 0.35
KDM5A P29375 3/20 0.35

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
SCHEMBL3472521 0.92 NR3C2 (0.47) NR3C2RXRANR1H2NR1H3CNR1
SCHEMBL3471439 0.83 RXRA (0.51) NR3C2RXRANR1H2NR1H3SLC16A3
SCHEMBL3478472 0.82 RXRA (0.57) NR3C2RXRANR1H2NR1H3PTGS1
SCHEMBL3474265 0.82 RXRA (0.50) NR3C2RXRANR1H2NR1H3SLC16A3
SCHEMBL3473982 0.81 NR3C2 (0.47) NR3C2RXRANR1H2NR1H3SLC16A3
SCHEMBL3474985 0.79 RXRA (0.49) NR3C2RXRANR1H2NR1H3SLC16A3
SCHEMBL3471829 0.78 CHRNB2 (0.52) NR3C2RXRANR1H2NR1H3CNR1
SCHEMBL3472674 0.78 RXRA (0.49) NR3C2RXRANR1H2NR1H3DRD2
SCHEMBL3474534 0.78 RXRA (0.50) NR3C2RXRANR1H2NR1H3DRD2
SCHEMBL3474545 0.77 CHRNB2 (0.51) NR3C2RXRANR1H2NR1H3CNR1

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 2 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-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR3C2 189/4885RXRA 18/4885NR1H2 1/4885

“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.