SCHEMBL2109475

SCHEMBL2109475

CNC(=O)COc1ccccc1C=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.66
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
SRC P12931 1/20 0.47
HSD17B10 Q99714 1/20 0.46
RAD52 P43351 1/20 0.45
BCHE P06276 1/20 0.44

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
SCHEMBL15331738 0.86 ALDH1A1 (0.61) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL29955221 0.84 PTGDR2 (0.62) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL6369657 0.83 SMN1; SMN2 (0.60) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL29951938 0.83 PTGDR2 (0.60) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1948329 0.82 PTGDR2 (0.68) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL15332808 0.82 PTGDR2 (0.59) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL7365733 0.82 PTGDR2 (0.59) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL18897490 0.82 ALDH1A1 (0.45) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1287954 0.81 PTGDR2 (0.72) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL2561022 0.81 PTGDR2 (0.62) PTGDR2ALDH1A1SMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
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-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP 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
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO 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 PTGDR2 1021/4885ALDH1A1 3768/4885SMN1; SMN2 4683/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 PTGDR2 1021/4885ALDH1A1 3768/4885SMN1; SMN2 4683/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 PTGDR2 1021/4885ALDH1A1 3768/4885SMN1; SMN2 4683/4885

“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.