SCHEMBL21291329

SCHEMBL21291329

COc1ccc(-c2sc(-c3ccc(C#N)cc3)cc2C2=C(c3cc(-c4ccc(C#N)cc4)sc3-c3ccc(C#N)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
APP P05067 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SNCA P37840 1/20 0.36
OPRD1 P41143 1/20 0.36
STAT3 P40763 1/20 0.35
GSK3B P49841 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MDM2 Q00987 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
IKBKB O14920 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL16024128 1.00 THRB (0.38) THRBCYP1A1CYP1B1APPMAPKAPK2
SCHEMBL14838429 1.00 THRB (0.38) THRBCYP1A1CYP1B1APPMAPKAPK2
SCHEMBL16011184 1.00 THRB (0.38) THRBCYP1A1CYP1B1APPMAPKAPK2
SCHEMBL14838376 1.00 THRB (0.38) THRBCYP1A1CYP1B1APPMAPKAPK2
SCHEMBL14833740 0.93 THRB (0.35) THRBCYP1A1CYP1B1APPMAPKAPK2
SCHEMBL16021761 0.92 MAPT (0.37) THRBCYP1A1CYP1B1MAPKAPK2RXFP1
SCHEMBL10002013 0.90 APP (0.45) APPOPRD1MAOAESR1ESR2
SCHEMBL14838381 0.90 ESR1 (0.41) SNCAESR1ESR2ARMAPT
SCHEMBL14838430 0.90 MAOA (0.35) THRBCYP1A1CYP1B1MAPKAPK2RXFP1
SCHEMBL14838519 0.85 HSD17B1 (0.39) ESR1ESR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 US disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 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 (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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B THRB 917/4885CYP1A1 116/4885CYP1B1 72/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B THRB 917/4885CYP1A1 116/4885CYP1B1 72/4885

“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.