SCHEMBL8618246

SCHEMBL8618246

c1cc2c(cn1)Cc1ccncc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CDC25B P30305 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CYP19A1 P11511 2/20 0.33
TNF P01375 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ROCK2 O75116 2/20 0.31

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
SCHEMBL29699898 0.91 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL14452876 0.91 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL30322659 0.91 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL9271489 0.91 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL30322772 0.84 MAOA (0.47) SIGMAR1MAOAMAOBCYP19A1TNF
SCHEMBL3075871 0.84 MAOA (0.47) SIGMAR1MAOAMAOBCYP19A1TNF
SCHEMBL30322863 0.84 MAOA (0.47) SIGMAR1MAOAMAOBCYP19A1TNF
SCHEMBL17264306 0.84 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL17264312 0.84 SIGMAR1 (0.40) SIGMAR1CHRNB2CHRNA4MAOAMAOB
SCHEMBL2239784 0.84 MAOA (0.47) SIGMAR1MAOAMAOBCYP19A1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5818636-A Complementary surface confined polmer electrochromic materials, systems, and methods of fabrication therefor MOLECULAR DISPLAYS, INC. (US) 1998-10-06 US claimed
EP-0698226-A4 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN INC (US) 1997-02-12 EP claimed
EP-0698226-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INCORPORATED (US) 1996-02-28 EP claimed
WO-1994023333-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INC. (US) 1994-10-13 WO claimed
US-20180138413-A1 DENDRIMER COMPOUND AND ORGANIC LUMINESCENT DEVICE EMPLOYING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-17 US disclosed
US-9966532-B2 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-08 US disclosed
US-9850253-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-26 US disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-20150333271-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-19 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed
US-20140231775-A1 DENDRIMER COMPOUND AND ORGANIC LUMINESCENT DEVICE EMPLOYING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
US-8728631-B2 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-20070154732-A1 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-05 US disclosed
US-5818636-A Complementary surface confined polmer electrochromic materials, systems, and methods of fabrication therefor MOLECULAR DISPLAYS, INC. (US) 1998-10-06 US disclosed
EP-0698226-A4 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN INC (US) 1997-02-12 EP disclosed
EP-0698226-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INCORPORATED (US) 1996-02-28 EP disclosed
US-5457564-A Complementary surface confined polymer electrochromic materials, systems, and methods of fabrication therefor MOLECULAR DISPLAYS, INC. (US) 1995-10-10 US disclosed
WO-1994023333-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INC. (US) 1994-10-13 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 (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-20150333271-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 SIGMAR1 2410/4885CHRNB2 1953/4885CHRNA4 667/4885
US-20180138413-A1 DENDRIMER COMPOUND AND ORGANIC LUMINESCENT DEVICE EMPLOYING THE SAME DCUN1D4, DCUN1D1, FLOT1 SIGMAR1 275/4885CHRNB2 1206/4885CHRNA4 866/4885

“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.