SCHEMBL21291331

SCHEMBL21291331

BrC1=C(c2cccs2)CC(c2cccs2)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 4/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NISCH Q9Y2I1 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
LTA4H P09960 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL19720836 0.79 ALDH1A1 (0.40) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL7178243 0.71 ALDH1A1 (0.38) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL2968956 0.70 LTA4H (0.35) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL2974362 0.70 GRM5 (0.37) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL2973538 0.69 TRPA1 (0.41) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL7172908 0.68 CYP11B2 (0.44) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL9927343 0.66 KDM4E (0.43) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL667254 0.66 KDM4E (0.43) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL7172853 0.65 ALDH1A1 (0.35) MAPTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL3545 0.65 L3MBTL1 (0.57) MAPTKDM4ETDP1ALDH1A1L3MBTL1

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 MAPT 4557/4885KDM4E 1996/4885TDP1 3213/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B MAPT 4557/4885KDM4E 1996/4885TDP1 3213/4885

“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.