SCHEMBL1134082

SCHEMBL1134082

COc1cccc(N(C)c2cccc(OC)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.61
MTNR1B P49286 9/20 0.61
ACHE P22303 1/20 0.52
HSD17B2 P37059 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B1 P14061 1/20 0.50
CHRM5 P08912 1/20 0.48
RELA Q04206 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL30054343 1.00 MTNR1A (0.61) MTNR1AMTNR1BACHEHSD17B2CA1
SCHEMBL1134087 0.94 MTNR1A (0.60) MTNR1AMTNR1BACHEHSD17B2HSD17B1
SCHEMBL9005151 0.90 MTNR1A (0.61) MTNR1AMTNR1BACHEHSD17B2CA1
SCHEMBL22166438 0.89 MTNR1A (0.60) MTNR1AMTNR1BACHEHSD17B2HSD17B1
SCHEMBL12047760 0.87 MTNR1A (0.58) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL3668117 0.87 MTNR1A (0.58) MTNR1AMTNR1BHSD17B2ALDH1A1CYP3A4
SCHEMBL17602315 0.87 MTNR1A (0.62) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL30595089 0.87 MTNR1A (0.58) MTNR1AMTNR1BHSD17B2ALDH1A1CYP3A4
SCHEMBL12048752 0.87 MTNR1A (0.55) MTNR1AMTNR1BACHEHSD17B2HSD17B1
SCHEMBL29636366 0.86 ACHE (0.52) MTNR1AMTNR1BACHEHSD17B2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315829-B Small molecule organic dye 巴塞尔大学 2022-11-04 CN disclosed
US-11214687-B2 Small-molecule organic dyes UNIVERSITÄT BASEL (CH) 2022-01-04 US disclosed
US-20200255667-A1 SMALL-MOLECULE ORGANIC DYES UNIVERSITÄT BASEL (CH) 2020-08-13 US disclosed
EP-3676334-A1 SMALL-MOLECULE ORGANIC DYES Universität Basel (CH) 2020-07-08 EP disclosed
CN-111315829-A Small molecule organic dye 巴塞尔大学 2020-06-19 CN disclosed
WO-2019057451-A1 SMALL-MOLECULE ORGANIC DYES UNIVERSITÄT BASEL (CH) 2019-03-28 WO disclosed
US-20170213652-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS UNIVERSITÉ DE TOURS (FR) 2017-07-27 US disclosed
US-20170213652-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS UNIVERSITÉ DE TOURS (FR) 2017-07-27 US disclosed
WO-2016016221-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS UNIVERSITE DE TOURS FRANCOIS-RABELAIS (FR) 2016-02-04 WO disclosed
EP-2285339-B1 INITIATOR SYSTEM CONTAINING A DIARYLAKYLAMINE DERIVATIVE, HARDENABLE COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2012-12-19 EP disclosed
EP-2285339-B1 INITIATOR SYSTEM CONTAINING A DIARYLAKYLAMINE DERIVATIVE, HARDENABLE COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2012-12-19 EP disclosed
US-8314162-B2 Initiator system containing a diarylalkylamine derivate, hardenable composition and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-11-20 US disclosed
EP-0891121-B1 ORGANIC ELECTROLUMINESCENT ELEMENTS TDK CORP (JP) 2012-09-26 EP disclosed
US-20110077361-A1 INITIATOR SYSTEM CONTAINING A DIARYLALKYLAMINE DERIVATE, HARDENABLE COMPOSITION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2011-03-31 US disclosed
EP-2285339-A1 INITIATOR SYSTEM CONTAINING A DIARYLAKYLAMINE DERIVATIVE, HARDENABLE COMPOSITION AND USE THEREOF 3M Innovative Properties Company (US) 2011-02-23 EP disclosed
WO-2009151957-A1 INITIATOR SYSTEM CONTAINING A DIARYLAKYLAMINE DERIVATIVE, HARDENABLE COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-17 WO disclosed
WO-2009151957-A1 INITIATOR SYSTEM CONTAINING A DIARYLAKYLAMINE DERIVATIVE, HARDENABLE COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-17 WO disclosed
EP-2133064-A1 Initiator system containing a diarylalkylamine derivate, hardenable composition and use thereof 3M Innovative Properties Company (US) 2009-12-16 EP disclosed
EP-2133064-A1 Initiator system containing a diarylalkylamine derivate, hardenable composition and use thereof 3M Innovative Properties Company (US) 2009-12-16 EP 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-11214687-B2 Small-molecule organic dyes SLC7A5, SLC30A5, ZKSCAN2 MTNR1A 1186/4885MTNR1B 2147/4885ACHE 2219/4885
US-20170213652-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS NES, NCL, CDK6 MTNR1A 4501/4885MTNR1B 4552/4885ACHE 2682/4885
US-20200255667-A1 SMALL-MOLECULE ORGANIC DYES SLC7A5, SLC30A5, ZKSCAN2 MTNR1A 1186/4885MTNR1B 2147/4885ACHE 2219/4885

“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.