SCHEMBL799659

SCHEMBL799659

CCC1(O)CN(c2ccc(Br)cc2F)C(C(C)(C)c2c(Cl)cccc2Cl)=N1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
NR1I2 O75469 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
PTGFR P43088 2/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
PTGES O14684 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
CCR1 P32246 1/20 0.30
CCR2 P41597 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL10083887 0.82 TP53 (0.32) RXRANR1H2NR1H3NR1I2SLC22A12
SCHEMBL799660 0.67 RXRA (0.50) RXRANR1H2NR1H3NR1I2SLC22A12
SCHEMBL782329 0.66 RXRA (0.62) RXRANR1H2NR1H3NR1I2SLC22A12
SCHEMBL805144 0.60 RXRA (0.43) RXRANR1H2NR1H3NR1I2SLC22A12
SCHEMBL782593 0.58 LMNA (0.46) LMNAGAAHTTSMN1; SMN2L3MBTL1
SCHEMBL2705447 0.58 CHRM5 (0.38) PTGFRLMNAHTTPTGESCHRM5
SCHEMBL782594 0.56 DGAT1 (0.34) PTGFRLMNAHTTPTGESCHRM5
SCHEMBL422450 0.55 L3MBTL1 (0.44) LMNAGAASMN1; SMN2L3MBTL1TP53
SCHEMBL6578871 0.54 CYP1A2 (0.43) LMNA
SCHEMBL8489151 0.54 GAA (0.40) RXRANR1H2NR1H3LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 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 (4 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-20140163081-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20150299136-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 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.