SCHEMBL2115247

SCHEMBL2115247

N#Cc1ccc(/C=C/c2cccc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.55
NR1H3 Q13133 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48

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
SCHEMBL1687912 1.00 CHAT (0.55) CHATNR1H3PTGS1PTGS2CHRNB4
SCHEMBL10061341 0.88 NR1H3 (0.51) CHATNR1H3
SCHEMBL9168728 0.86 CHAT (0.70) CHATPTGS1PTGS2
SCHEMBL9168725 0.86 CHAT (0.70) CHATPTGS1PTGS2
SCHEMBL24105490 0.84 CA1 (0.45) CHATNR1H3
SCHEMBL1687852 0.84 NR1H3 (0.59) NR1H3
SCHEMBL1687853 0.83 NR1H3 (0.49) CHATNR1H3
SCHEMBL12946413 0.81 NR1H3 (0.51) NR1H3
SCHEMBL1687899 0.80 NR1H3 (0.56) NR1H3
SCHEMBL11742043 0.80 NR1H3 (0.47) NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150524-B1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS DU PONT (US) 2016-02-10 EP disclosed
US-8604247-B2 Chrysenes for deep blue luminescent applications E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-10 US disclosed
US-20120235562-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-20 US disclosed
US-8158831-B2 Chrysene compounds for deep blue luminescent applications E I DU PONT DE NEMOURS AND COMPANY (US) 2012-04-17 US disclosed
US-20110220885-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS E. I DU PONT DE NEMOURS AND COMPANY (DE) 2011-09-15 US disclosed
EP-2150524-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS E. I. Du Pont de Nemours and Company (US) 2010-02-10 EP disclosed
EP-2150599-A1 CHRYSENES FOR GREEN LUMINESCENT APPLICATIONS E. I. Du Pont de Nemours and Company (US) 2010-02-10 EP disclosed
US-20080306303-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS LG CHEM, LTD. (KR) 2008-12-11 US disclosed
WO-2008150872-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-11 WO disclosed
WO-2008150940-A1 CHRYSENES FOR GREEN LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-11 WO disclosed
US-20080303428-A1 CHRYSENES FOR GREEN LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2008-12-11 US disclosed
US-4016195-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3957846-A OPTICAL BRIGHTENERS, LACQUERS, SYNTHETIC FIBERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (4 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-20110220885-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS CRY2, CYBA, CDYL CHAT 11/4885NR1H3 2571/4885PTGS1 4042/4885
US-20120235562-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS CRY2, CYBA, CDYL CHAT 11/4885NR1H3 2571/4885PTGS1 4042/4885
US-20080303428-A1 CHRYSENES FOR GREEN LUMINESCENT APPLICATIONS CRY2, CENPE, CRY1 CHAT 16/4885NR1H3 3437/4885PTGS1 3712/4885
US-20080306303-A1 CHRYSENES FOR DEEP BLUE LUMINESCENT APPLICATIONS CRY2, CYBA, CDYL CHAT 11/4885NR1H3 2571/4885PTGS1 4042/4885

“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.