SCHEMBL12568014

SCHEMBL12568014

CC(C)(C)c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.38
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
RECQL P46063 1/20 0.37
PTGER4 P35408 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
CACNG2 Q9Y698 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
SCHEMBL12349600 0.94 RECQL (0.39) MAPK1ALDH1A1MAPTNPSR1ALOX5
SCHEMBL12349437 0.92 ESR1 (0.44) MAPK1ALDH1A1MAPTALOX5RECQL
SCHEMBL12567999 0.91 ESR2 (0.44) MAPK1ALDH1A1MAPTALOX5RECQL
SCHEMBL12567988 0.90 ESR2 (0.41) MAPK1ALDH1A1MAPTNPSR1ALOX5
SCHEMBL12567859 0.90 ESR1 (0.42) MAPK1ALDH1A1MAPTNPSR1ALOX5
SCHEMBL12348993 0.89 ALOX5 (0.40) MAPK1ALDH1A1MAPTNPSR1ALOX5
SCHEMBL12567990 0.88 RECQL (0.41) MAPK1ALDH1A1MAPTALOX5RECQL
SCHEMBL9288593 0.87 ESR1 (0.39) MAPK1ALDH1A1MAPTNPSR1ALOX5
SCHEMBL15446534 0.86 ESR1 (0.44) MAPK1ALDH1A1MAPTALOX5RECQL
SCHEMBL9288573 0.86 ALOX5 (0.40) MAPK1ALDH1A1MAPTNPSR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2662369-B1 Benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2015-09-23 EP disclosed
EP-2662369-A1 benzimidazol-2-yl-phenyl compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-11-13 EP disclosed
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
US-8354542-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-15 US disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 US disclosed
US-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-06-23 US 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 (1 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-20110147792-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device CCNE2, CCNE1, CCNT1 MAPK1 886/4885ALDH1A1 30/4885MAPT 3563/4885

“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.