SCHEMBL21291340

SCHEMBL21291340

CCC(C)[C@@H](C)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KEAP1 Q14145 1/20 0.35
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSPA5 P11021 1/20 0.33
HSPA2 P54652 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL12111131 1.00 ALOX5 (0.40) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14511374 0.82 ALOX5 (0.39) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12311962 0.78
SCHEMBL94688 0.78
SCHEMBL22343404 0.78 HDAC1 (0.36) ALOX5MAPTALDH1A1TP53TSHR
SCHEMBL4589933 0.78 ALOX5 (0.44) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12260372 0.78 ALOX5 (0.44) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21031030 0.77 CYP3A4 (0.43) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2880798 0.76 ALOX5 (0.39) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18400710 0.75 ALOX5 (0.40) ALOX5MAPTNPC1RAB9ASMN1; SMN2

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 ALOX5 3838/4885MAPT 4557/4885NPC1 3796/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B ALOX5 3838/4885MAPT 4557/4885NPC1 3796/4885

“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.