SCHEMBL1244598

SCHEMBL1244598

Cc1cccc(-c2nc(-c3cccc(C)c3C)nc(-c3cccc(C)c3C)n2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.43
TRPA1 O75762 1/20 0.42
ATM Q13315 1/20 0.42
S1PR1 P21453 1/20 0.41
HSP90AA1 P07900 1/20 0.39
P2RX7 Q99572 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2A6 P11509 2/20 0.38
TLR8 Q9NR97 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL4209540 0.89 NUDT1 (0.41) NUDT1TRPA1ATMS1PR1HSP90AA1
SCHEMBL25107058 0.88 L3MBTL1 (0.55) S1PR1HSP90AA1CYP1A2CYP2D6CYP2C19
SCHEMBL8711626 0.87 PIK3CD (0.43) NUDT1TRPA1ATMS1PR1P2RX7
SCHEMBL125549 0.85 HSP90AA1 (0.53) NUDT1HSP90AA1CYP1A2CYP2C19TSHR
SCHEMBL17125581 0.84 S1PR1 (0.40) NUDT1S1PR1HSP90AA1CYP1A2HSD17B10
SCHEMBL17125587 0.84 S1PR1 (0.40) NUDT1S1PR1HSP90AA1CYP1A2HSD17B10
SCHEMBL17125584 0.83 S1PR1 (0.42) NUDT1S1PR1MAPK1ALDH1A1NPC1
SCHEMBL17125585 0.83 S1PR1 (0.42) NUDT1S1PR1MAPK1ALDH1A1NPC1
SCHEMBL5569934 0.82 GAA (0.49) TRPA1ATMHSP90AA1TSHRMAPK1
SCHEMBL5703467 0.82 GAA (0.49) TRPA1ATMHSP90AA1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 US disclosed
EP-2835368-B1 Process for Isolation of Monophenolic-Bisaryl Triazines CYTEC TECH CORP (US) 2017-11-15 EP disclosed
EP-2289884-B1 Process for isolation of monophenolic bisaryl triazines CYTEC TECH CORP (US) 2017-09-06 EP disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 US disclosed
EP-2280005-B1 Process for isolation of monophenolic bisaryl triazines CYTEC TECH CORP (US) 2015-08-26 EP disclosed
EP-2835368-A1 Process for Isolation of Monophenolic-Bisaryl Triazines CYTEC TECHNOLOGY CORP. (US) 2015-02-11 EP disclosed
EP-1397352-B1 PROCESS FOR ISOLATION OF MONOPHENOLIC-BISARYL TRIAZINES CYTEC TECH CORP (US) 2014-01-01 EP disclosed
EP-2289884-A1 Process for isolation of monophenolic bisaryl triazines CYTEC TECHNOLOGY CORP. (US) 2011-03-02 EP disclosed
EP-2280005-A1 Process for isolation of monophenolic bisaryl triazines CYTEC TECHNOLOGY CORP. (US) 2011-02-02 EP disclosed
US-6710177-B2 REACTING A CYANURIC HALIDE WITH BENZENE COMPOUND CYTEC TECHNOLOGY CORP. 2004-03-23 US disclosed
EP-1397352-A2 PROCESS FOR ISOLATION OF MONOPHENOLIC-BISARYL TRIAZINES Cytec Technology Corp. (US) 2004-03-17 EP disclosed
US-6632944-B2 Such as 2-(2,4-dihydroxyphenyl)-4,6-bis(2,3-dimethylphenyl)-1,3,5-triazine via solvent extraction; for ultraviolet radiation absorption CYTEC TECHNOLOGY CORP. 2003-10-14 US disclosed
US-20030013879-A1 Process for isolation of monophenolic-bisaryl triazines CYTEC TECHNOLOGY CORP. 2003-01-16 US disclosed
WO-2003000667-A2 PROCESS FOR ISOLATION OF MONOPHENOLIC-BISARYL TRIAZINES CYTEC TECHNOLOGY CORP. (US) 2003-01-03 WO disclosed
US-6486316-B1 Process for making triazine UV absorbers using Lewis acids and reaction promoters CYTEC TECHNOLOGY CORP. 2002-11-26 US disclosed
US-20020013463-A1 Process for making triazine UV absorbers using Lewis acids and reaction promoters CYTEC INDUSTRIES CORP. 2002-01-31 US disclosed
EP-1131305-A1 PROCESS FOR PREPARING TRIAZINES USING A COMBINATION OF LEWIS ACIDS WITH REACTION PROMOTERS CYTEC TECHNOLOGY CORP. (US) 2001-09-12 EP disclosed
US-20010020094-A1 Process for making triazine UV absorbers using lewis acids and reaction promoters CYTEC TECHNOLOGIES CORP. 2001-09-06 US disclosed
WO-2000029392-A1 PROCESS FOR PREPARING TRIAZINES USING A COMBINATION OF LEWIS ACIDS AND REACTION PROMOTERS CYTEC TECHNOLOGY CORP. (US) 2000-05-25 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-20020013463-A1 Process for making triazine UV absorbers using Lewis acids and reaction promoters TYR, TDO2, CYP4Z1 NUDT1 238/4885TRPA1 623/4885ATM 4660/4885
US-20010020094-A1 Process for making triazine UV absorbers using lewis acids and reaction promoters TYR, TDO2, CYP4Z1 NUDT1 238/4885TRPA1 623/4885ATM 4660/4885
US-20030013879-A1 Process for isolation of monophenolic-bisaryl triazines ADH1C, TET2, AHR NUDT1 1395/4885TRPA1 2522/4885ATM 4274/4885

“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.