SCHEMBL819994

SCHEMBL819994

CCCCC(CC)Cc1csc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL16411313 0.78 ALDH1A1 (0.37) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL16683752 0.77 ALDH1A1 (0.40) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL16439971 0.77 ALDH1A1 (0.36) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL28756467 0.77 ALDH1A1 (0.36) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL725427 0.76 TSHR (0.35) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL820218 0.73 TSHR (0.36) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL23057961 0.73 CA2 (0.38)
SCHEMBL19799279 0.73 LMNA (0.35) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL15672890 0.72 TSHR (0.33) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL29834913 0.72 TSHR (0.49) TSHRALDH1A1TDP1CYP3A4MAPK1

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-8673183-B2 Tetrazine monomers and copolymers for use in organic electronic devices NATIONAL RESEARCH COUNCIL OF CANADA 2014-03-18 US disclosed
US-20120007026-A1 TETRAZINE MONOMERS AND COPOLYMERS FOR USE IN ORGANIC ELECTRONIC DEVICES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-01-12 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 (1 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-20120007026-A1 TETRAZINE MONOMERS AND COPOLYMERS FOR USE IN ORGANIC ELECTRONIC DEVICES CCNE1, CCNE2, WEE1 TSHR 2462/4885GLA 4789/4885HTT 2605/4885

“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.