SCHEMBL3472779

SCHEMBL3472779

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCCC1c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.48
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
SCD5 Q86SK9 1/20 0.44
NR3C2 P08235 1/20 0.43
ROCK2 O75116 1/20 0.41
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
CNR1 P21554 2/20 0.39
SLC5A1 P13866 1/20 0.38
HSD11B1 P28845 5/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL3478379 0.91 RXRA (0.47) RXRANR1H2NR1H3NR3C2ROCK2
SCHEMBL3472995 0.89 RXRA (0.46) RXRANR1H2NR1H3SCD5NR3C2
SCHEMBL3473191 0.88 RXRA (0.49) RXRANR1H2NR1H3SCD5NR3C2
SCHEMBL3472851 0.87 RXRA (0.51) RXRANR1H2NR1H3SCD5NR3C2
SCHEMBL3473959 0.86 CNR1 (0.53) RXRANR1H2NR1H3SCD5NR3C2
SCHEMBL3475148 0.86 RXRA (0.47) RXRANR1H2NR1H3NR3C2ROCK2
SCHEMBL3472589 0.85 RXRA (0.48) RXRANR1H2NR1H3NR3C2CNR1
SCHEMBL3474064 0.85 RXRA (0.48) RXRANR1H2NR1H3NR3C2ROCK2
SCHEMBL3471992 0.85 RXRA (0.52) RXRANR1H2NR1H3NR3C2SLC5A1
SCHEMBL3471585 0.85 RXRA (0.47) RXRANR1H2NR1H3SCD5NR3C2

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 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.