SCHEMBL2083685

SCHEMBL2083685

Cc1ccc(-c2ccc3ccc4c(-c5ccc(C)cc5)cc(-c5ccc(C)cc5)c5ccc2c3c45)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.40
MAOB P27338 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
COMT P21964 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MIF P14174 1/20 0.34

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
SCHEMBL2082821 0.92 TDP1 (0.40) GRM2MAOBADORA3CA12CA9
SCHEMBL2081479 0.88 GRM2 (0.35) GRM2MAOBADORA3CA12CA9
SCHEMBL4585214 0.88 CA12 (0.43) GRM2MAOBADORA3CA12CA9
SCHEMBL15945806 0.87 KDM1A (0.41) MAOBCYP3A4CYP1A2NPC1RAB9A
SCHEMBL15947774 0.87 KDM1A (0.41) MAOBCYP3A4CYP1A2NPC1RAB9A
SCHEMBL2291863 0.85 ALDH1A1 (0.53) ADORA3COMTALDH1A1HPGDTDP1
SCHEMBL21960023 0.83 ALDH1A1 (0.52) ADORA3COMTALDH1A1HPGDTDP1
SCHEMBL4138758 0.83 GRM2 (0.41) GRM2COMTALDH1A1HPGDTDP1
Ammonia Solution, Strong SCHEMBL27726554 0.83 ALDH1A1 (0.52) ADORA3COMTALDH1A1HPGDTDP1
SCHEMBL28362148 0.82 GRM2 (0.41) GRM2MAOBADORA3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729530-B2 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2014-05-20 US disclosed
EP-2028249-B1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2013-05-08 EP disclosed
EP-1852486-B1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES (JP) 2012-08-22 EP disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-20100163852-A1 Material for light-emitting device and light-emitting device TORAY INDUSTRIES, INC. (JP) 2010-07-01 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
EP-2028249-A1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE Toray Industries, Inc. (JP) 2009-02-25 EP disclosed
EP-1852486-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2007-11-07 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 (2 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 GRM2 1285/4885MAOB 2180/4885ADORA3 3968/4885
US-20100163852-A1 Material for light-emitting device and light-emitting device CRY1, CRY2, S100A10 GRM2 2501/4885MAOB 2776/4885ADORA3 3812/4885

“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.