SCHEMBL3471554

SCHEMBL3471554

COc1ccc(C2CCCN2C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.47
ROCK2 O75116 2/20 0.46
RXRA P19793 2/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 1/20 0.44
SCD O00767 3/20 0.43

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
SCHEMBL3472115 0.92 RXRA (0.44) SCD5ROCK2RXRANR1H2NR1H3
SCHEMBL3474064 0.91 RXRA (0.48) ROCK2RXRANR1H2NR1H3PTGS2
SCHEMBL3472851 0.91 RXRA (0.51) SCD5ROCK2RXRANR1H2NR1H3
SCHEMBL3473191 0.91 RXRA (0.49) SCD5ROCK2RXRANR1H2NR1H3
SCHEMBL3473959 0.90 CNR1 (0.53) SCD5ROCK2RXRANR1H2NR1H3
SCHEMBL3473659 0.90 RXRA (0.47) ROCK2RXRANR1H2NR1H3CNR1
SCHEMBL3472995 0.90 RXRA (0.46) SCD5ROCK2RXRANR1H2NR1H3
SCHEMBL3470767 0.89 ROCK2 (0.46) ROCK2RXRANR1H2NR1H3PTGS2
SCHEMBL3471953 0.89 RXRA (0.46) ROCK2RXRANR1H2NR1H3PTGS2
SCHEMBL3475148 0.89 RXRA (0.47) ROCK2RXRANR1H2NR1H3PTGS2

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 SCD5 725/4885ROCK2 1928/4885RXRA 18/4885

“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.