SCHEMBL20980381

SCHEMBL20980381

CCCc1cccc(ON)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
AOC3 Q16853 1/20 0.46
ALOX5 P09917 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ACHE P22303 3/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
KIF11 P52732 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL26218121 0.83 TAAR1 (0.50) TAAR1AOC3ALOX5CHRM2CHRM1
SCHEMBL20980184 0.83 TAAR1 (0.47) TAAR1IDO1AGXTAOC3CHRM2
SCHEMBL156300 0.82 TAAR1 (0.69) TAAR1IDO1AGXTAOC3CHRM2
SCHEMBL21565171 0.80 TAAR1 (0.47) TAAR1AOC3ALOX5CHRM2CHRM1
SCHEMBL427612 0.80 CHRM2 (0.58) TAAR1CHRM2CHRM1CHRM3PPARG
Ammonia Solution, Strong SCHEMBL1095728 0.80 TAAR1 (0.67) TAAR1IDO1AGXTAOC3CHRM2
SCHEMBL9633048 0.80 ALOX5 (0.48) TAAR1AOC3ALOX5CHRM2CHRM1
SCHEMBL22031071 0.79 MAOB (0.45) TAAR1IDO1AGXTAOC3CHRM2
SCHEMBL14416552 0.78 TAAR1 (0.55) TAAR1IDO1AGXTAOC3ALOX5
SCHEMBL2866644 0.78 TAAR1 (0.46) TAAR1AOC3ALOX5CHRM2CHRM1

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-11840601-B2 Composition of alkoxysilyl-functionalized epoxy resin and composite thereof KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2023-12-12 US disclosed
US-11214583-B2 Compound having alkoxysilyl group and active ester group, method for preparing same, composition comprising same, and use KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2022-01-04 US disclosed
US-20210163673-A1 COMPOSITION OF ALKOXYSILYL-FUNCTIONALIZED EPOXY RESIN AND COMPOSITE THEREOF KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2021-06-03 US disclosed
US-10968308-B2 Preparation method of epoxy compound having alkoxysilyl group, epoxy compound having alkoxysilyl group, composition comprising the same, and use thereof KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2021-04-06 US disclosed
US-20200165275-A1 COMPOUND HAVING ALKOXYSILYL GROUP AND ACTIVE ESTER GROUP, METHOD FOR PREPARING SAME, COMPOSITION COMPRISING SAME, AND USE KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2020-05-28 US disclosed
US-20190135970-A1 PREPARATION METHOD OF EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, COMPOSITION COMPRISING THE SAME, AND USE THEREOF KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2019-05-09 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 (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-20200165275-A1 COMPOUND HAVING ALKOXYSILYL GROUP AND ACTIVE ESTER GROUP, METHOD FOR PREPARING SAME, COMPOSITION COMPRISING SAME, AND USE NOTUM, AGPS, ESD TAAR1 3307/4885IDO1 3093/4885AGXT 284/4885
US-11214583-B2 Compound having alkoxysilyl group and active ester group, method for preparing same, composition comprising same, and use NOTUM, AGPS, ESD TAAR1 3307/4885IDO1 3093/4885AGXT 284/4885
US-10968308-B2 Preparation method of epoxy compound having alkoxysilyl group, epoxy compound having alkoxysilyl group, composition comprising the same, and use thereof EGLN1, ALKBH3, EPHX2 TAAR1 2052/4885IDO1 759/4885AGXT 3204/4885

“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.