SCHEMBL1753850

SCHEMBL1753850

COc1c(OCC(=O)NCC2CCCO2)cccc1C1SC(c2ccc(F)cc2)=NN1C(=O)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.54
NR1H3 Q13133 11/20 0.53
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL13575918 0.94 NR1H2 (0.57) NR1H2NR1H3POLBHSD17B10L3MBTL1
SCHEMBL1754560 0.90 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL1754411 0.86 NR1H2 (0.56) NR1H2NR1H3ALDH1A1
SCHEMBL13575992 0.85 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754351 0.85 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754275 0.85 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL1754469 0.85 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754471 0.85 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754045 0.85 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL1754279 0.85 NR1H2 (0.59) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 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-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885POLB 3374/4885

“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.