SCHEMBL14838263

SCHEMBL14838263

COc1ccc(-c2sc(-c3ccc(/C=C/c4ccccc4)cc3)cc2C2=C(c3cc(-c4ccc(/C=C/c5ccccc5)cc4)sc3-c3ccc(OC)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
RELA Q04206 6/20 0.43
NFE2L2 Q16236 4/20 0.43
APP P05067 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLCG2 P16885 1/20 0.38
SNCA P37840 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL14838364 0.96 TRPA1 (0.42) TRPA1RELANFE2L2APPHSP90AA1
SCHEMBL16011306 0.96 TRPA1 (0.42) TRPA1RELANFE2L2APPHSP90AA1
SCHEMBL16021787 0.90 HSD17B1 (0.40) RELANFE2L2MAPTSNCAESR1
SCHEMBL10002013 0.88 APP (0.45) RELAAPPMAPTRAB9ASMN1; SMN2
SCHEMBL16011190 0.82 APP (0.40) RELAAPPMAPTRAB9ASMN1; SMN2
SCHEMBL14838514 0.81 OPRD1 (0.39) RELAAPPHSP90AA1MAPTRAB9A
SCHEMBL16011184 0.80 THRB (0.38) APPMAPTSMN1; SMN2SNCACYP1A1
SCHEMBL21291329 0.80 THRB (0.38) APPMAPTSMN1; SMN2SNCACYP1A1
SCHEMBL14838376 0.80 THRB (0.38) APPMAPTSMN1; SMN2SNCACYP1A1
SCHEMBL16024128 0.80 THRB (0.38) APPMAPTSMN1; SMN2SNCACYP1A1

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-10072023-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2018-09-11 US 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-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-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
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 (6 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 TRPA1 67/4885RELA 3104/4885NFE2L2 805/4885
US-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B TRPA1 67/4885RELA 3104/4885NFE2L2 805/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B TRPA1 67/4885RELA 3104/4885NFE2L2 805/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B TRPA1 67/4885RELA 3104/4885NFE2L2 805/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B TRPA1 67/4885RELA 3104/4885NFE2L2 805/4885
US-10072023-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B TRPA1 67/4885RELA 3104/4885NFE2L2 805/4885

“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.