SCHEMBL21291324

SCHEMBL21291324

CC1=C(c2cc(-c3ccc(C(=O)O)s3)sc2-c2cccs2)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL16011112 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL14838305 0.91 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL16021754 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL21291337 0.85 PGR (0.33) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL21695435 0.85 MEN1 (0.32) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL16011274 0.83 KDM4E (0.44) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL21291339 0.82 DPP4 (0.49) ALDH1A1KDM4EGAAL3MBTL1GLA
SCHEMBL14838333 0.82 HPGD (0.40) ALDH1A1KDM4EGAARAB9AHPGD
SCHEMBL14838405 0.80 HPGD (0.39) ALDH1A1KDM4ERAB9ANPC1HPGD
SCHEMBL21291343 0.79 DPP4 (0.33) ALDH1A1KDM4EL3MBTL1MAPTRAB9A

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 ALDH1A1 1014/4885KDM4E 1996/4885LMNA 2312/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B ALDH1A1 1014/4885KDM4E 1996/4885LMNA 2312/4885

“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.