SCHEMBL14838440

SCHEMBL14838440

COc1ccc(-c2sc(-c3ccc(C#N)cc3)cc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
THRB P10828 1/20 0.43
IKBKB O14920 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
SNCA P37840 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAOA P21397 2/20 0.40
GSK3B P49841 1/20 0.40
MAOB P27338 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL14832675 1.00 APP (0.44) APPTHRBIKBKBRXFP1SNCA
SCHEMBL14832899 0.88 SNCA (0.49) SNCAMAOAMAOBMEN1KMT2A
SCHEMBL9936639 0.88 APP (0.55) APPIKBKBSNCAMAOAMEN1
SCHEMBL14832889 0.84 APP (0.50) APPIKBKBRXFP1SNCAMAOA
SCHEMBL14832261 0.81 APP (0.61) APPIKBKBSNCAMEN1KMT2A
SCHEMBL14832569 0.78 ALDH1A1 (0.53) APPIKBKBSNCAMAOAMEN1
SCHEMBL16021759 0.78 SNCA (0.43) SNCAMAOB
SCHEMBL16024128 0.76 THRB (0.38) APPTHRBIKBKBRXFP1SNCA
SCHEMBL14838376 0.76 THRB (0.38) APPTHRBIKBKBRXFP1SNCA
SCHEMBL21291329 0.76 THRB (0.38) APPTHRBIKBKBRXFP1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690045-B Diarylethene compounds and uses thereof 首诺加拿大公司 2022-08-30 CN disclosed
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 US disclosed
US-10556912-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2020-02-11 US disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 US disclosed
US-20180339995-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2018-11-29 US disclosed
EP-3385354-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF Switch Materials, Inc. (CA) 2018-10-10 EP disclosed
US-10072023-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2018-09-11 US disclosed
EP-2760969-B1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MAT INC (CA) 2018-05-16 EP disclosed
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 US disclosed
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 US disclosed
US-9227986-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2016-01-05 US disclosed
US-9227986-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2016-01-05 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
WO-2013044371-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2013-04-04 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 (7 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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B APP 3371/4885THRB 917/4885IKBKB 4052/4885
US-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B APP 3371/4885THRB 917/4885IKBKB 4052/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B APP 3371/4885THRB 917/4885IKBKB 4052/4885
US-20180339995-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS HCN2, KCNH2, KCNH3 APP 3543/4885THRB 1122/4885IKBKB 3230/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B APP 3371/4885THRB 917/4885IKBKB 4052/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B APP 3371/4885THRB 917/4885IKBKB 4052/4885
US-10072023-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B APP 3371/4885THRB 917/4885IKBKB 4052/4885

“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.