SCHEMBL2108698

SCHEMBL2108698

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(COc3cccc(C=O)c3OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.53
SLC2A4 P14672 2/20 0.50
LPAR1 Q92633 4/20 0.49
LPAR5 Q9H1C0 4/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 1/20 0.46
SLC2A8 Q9NY64 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL696160 0.81 NPC1 (0.55) NPC1MAPTALDH1A1HPGDRAB9A
SCHEMBL1754377 0.80 TAS2R14 (0.50) MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4294807 0.76 CCNB2 (0.55) MAPT
SCHEMBL13006162 0.76 ERN1 (0.43) SLC2A1LPAR1NPC1MAPTALDH1A1
SCHEMBL19511901 0.75 ERN1 (0.60) NPC1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL5628749 0.75 ALDH1A1 (0.64) NPC1MAPTALDH1A1NPSR1MEN1
SCHEMBL3446415 0.73 ALDH1A1 (0.54) NPC1MAPTALDH1A1NPSR1MEN1
SCHEMBL19512012 0.73 NPC1 (0.45) NPC1MAPTALDH1A1NPSR1MEN1
SCHEMBL9597698 0.72 RAB9A (0.52) NPC1KMT2ARAB9A
SCHEMBL29952390 0.72 KMT2A (0.64) NPC1MAPTALDH1A1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 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-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 WO 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 (3 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 SLC2A1 1549/4885SLC2A4 1816/4885LPAR1 78/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 SLC2A1 1549/4885SLC2A4 1816/4885LPAR1 78/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 SLC2A1 1549/4885SLC2A4 1816/4885LPAR1 78/4885

“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.