SCHEMBL21291337

SCHEMBL21291337

CC1=C(c2cc(-c3cccs3)sc2-c2cccs2)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SLC6A11 P48066 1/20 0.30

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
SCHEMBL21695435 0.91 MEN1 (0.32) PGRKDM4EMAPTALDH1A1MEN1
SCHEMBL915494 0.90 MEN1 (0.34) PGRKDM4EMAPTNPC1PDK2
SCHEMBL21291339 0.86 DPP4 (0.49) PGRKDM4EMAPTNPC1ALDH1A1
SCHEMBL16021800 0.86 DPP4 (0.39) KDM4EMAPTNPC1PDK2ALDH1A1
SCHEMBL21291324 0.85 ALDH1A1 (0.41) KDM4EMAPTNPC1ALDH1A1MEN1
SCHEMBL14838258 0.84 ALDH1A1 (0.34) PGRKDM4EMAPTNPC1ALDH1A1
SCHEMBL21291343 0.83 DPP4 (0.33) KDM4EMAPTNPC1ALDH1A1L3MBTL1
SCHEMBL14838370 0.82 DPP4 (0.32) PGRKDM4EMAPTPDK2ALDH1A1
SCHEMBL14838420 0.82 DPP4 (0.35) PGRKDM4EMAPTNPC1ALDH1A1
SCHEMBL22733814 0.81 KDM4E (0.35) KDM4EMAPTNPC1ALDH1A1LMNA

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PGR 2364/4885KDM4E 1996/4885MAPT 4557/4885
US-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B PGR 2364/4885KDM4E 1996/4885MAPT 4557/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B PGR 2364/4885KDM4E 1996/4885MAPT 4557/4885

“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.