SCHEMBL5604652

SCHEMBL5604652

Cc1cc(C)cc(N(C)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.46
CHKA P35790 4/20 0.42
NR3C2 P08235 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12249552 0.87 CHKA (0.41) TSPOCHKANR3C2MEN1KMT2A
SCHEMBL12258324 0.85 CHKA (0.47) CHKANR3C2MEN1KMT2AHTT
SCHEMBL13509012 0.84 TSHR (0.42) TSPOACHETSHRALDH1A1MAPK1
SCHEMBL13241962 0.84 CHKA (0.43) TSPOCHKAHTTALDH1A1EGFR
SCHEMBL13367407 0.84 ACHE (0.55) MEN1KMT2AHTTACHETSHR
SCHEMBL2742923 0.84 ACHE (0.48) CHKAHTTLMNAACHETSHR
SCHEMBL13367375 0.83 ALDH1A1 (0.52) TSPOACHETSHRALDH1A1EGFR
SCHEMBL21846191 0.82 TACR1 (0.38) TSPOCHKANR3C2MEN1KMT2A
Toluene SCHEMBL14537403 0.82 TSHR (0.61) CHKANR3C2MEN1KMT2AHTT
SCHEMBL22931682 0.82 MEN1 (0.52) CHKANR3C2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11342506-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-05-24 US disclosed
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 US disclosed
WO-2020054676-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 学校法人関西学院 2020-03-19 WO disclosed
WO-2020045681-A1 ORGANIC ELECTROLUMINESCENT ELEMENT USING LIGHT EMITTING MATERIAL COMPOSED OF POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-03-05 WO disclosed
WO-2019198698-A1 FLUORINE-SUBSTITUTED POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2019-10-17 WO disclosed
EP-3013787-B1 TRANSITION-METAL-FREE N-ARYLATION OF TERTIARY AMINES USING ARYNES COUNCIL SCIENT IND RES (IN) 2017-08-02 EP disclosed
EP-3013787-B1 TRANSITION-METAL-FREE N-ARYLATION OF TERTIARY AMINES USING ARYNES COUNCIL SCIENT IND RES (IN) 2017-08-02 EP disclosed
US-9650329-B2 Transition-metal-free N-arylation of tertiary amines using arynes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-16 US disclosed
US-9650329-B2 Transition-metal-free N-arylation of tertiary amines using arynes COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-16 US disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 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 (6 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-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus TYR, AOC2, AOC1 TSPO 2862/4885CHKA 3801/4885NR3C2 2223/4885
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TSPO 1241/4885CHKA 1262/4885NR3C2 1383/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 TSPO 1065/4885CHKA 1267/4885NR3C2 1420/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 TSPO 2862/4885CHKA 3801/4885NR3C2 2223/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TSPO 1241/4885CHKA 1262/4885NR3C2 1383/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TSPO 1241/4885CHKA 1262/4885NR3C2 1383/4885

“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.