SCHEMBL243121

SCHEMBL243121

[C-]#[N+]c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX12 P18054 1/20 0.34
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RBP4 P02753 1/20 0.30

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
SCHEMBL7224776 0.87 GABRA1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL31395238 0.80 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29807620 0.73 GABRA1 (0.37) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29956247 0.73 TDP1 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL420138 0.73 TDP1 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1810761 0.71 GABRA1 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10523675 0.69 CA2 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29355273 0.68 ALDH1A1 (0.63) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL580584 0.68 ALDH1A1 (0.63) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL5061063 0.67 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538698-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2020-01-21 US disclosed
US-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
EP-2294160-B1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-10-17 EP disclosed
US-9859504-B2 Diamine compounds for phosphorescent diazaborole metal complexes and electroluminescent devices COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-02 US disclosed
US-9768397-B2 Phenylenediamine compounds for phosphorescent diazaborole metal complexes COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-09-19 US disclosed
US-9627632-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
US-9543531-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2017-01-10 US disclosed
EP-2927300-B1 PHENYLENEDIAMINE COMPOUNDS FOR PHOSPHORESCENT DIAZABOROLE METAL COMPLEXES COMMW SCIENT IND RES ORG (AU) 2016-11-16 EP disclosed
US-9481826-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2016-11-01 US disclosed
EP-2340577-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
WO-2010099852-A1 METAL COMPLEXES HAVING AZABOROL LIGANDS AND ELECTRONIC DEVICE HAVING THE SAME MERCK PATENT GMBH (DE) 2010-09-10 WO disclosed
US-20100176386-A1 LUMINESCENT METAL COMPLEXES FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2010-07-15 US disclosed
WO-2010046016-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-04-29 WO disclosed
EP-2173757-A1 LUMINESCENT METAL COMPLEXES FOR ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2010-04-14 EP disclosed
WO-2010015307-A1 ELECTRONIC DEVICES COMPRISING METAL COMPLEXES HAVING ISONITRILE LIGANDS MERCK PATENT GMBH (DE) 2010-02-11 WO disclosed
WO-2010006681-A1 COMPLEXES FOR USE IN OPTOELECTRONIC COMPONENTS MERCK PATENT GMBH (DE) 2010-01-21 WO disclosed
WO-2010006666-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-01-21 WO disclosed
WO-2009146770-A2 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-12-10 WO disclosed
WO-2009112152-A1 OPTOELECTRONIC COMPONENT COMPRISING NEUTRAL TRANSITION METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-09-17 WO disclosed
WO-2009003700-A1 LUMINESCENT METAL COMPLEXES FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2009-01-08 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-20100176386-A1 LUMINESCENT METAL COMPLEXES FOR ORGANIC ELECTRONIC DEVICES OCIAD2, OCIAD1, OSTC CA2 3599/4885GABRA1 3440/4885GABRB2 3377/4885
US-10538698-B2 Electronic device comprising metal complexes OCIAD1, OCIAD2, OSTC CA2 2795/4885GABRA1 3856/4885GABRB2 3580/4885
US-10290819-B2 Metal complexes PICALM, IMMT, IKZF3 CA2 273/4885GABRA1 1317/4885GABRB2 858/4885

“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.