SCHEMBL21891775

SCHEMBL21891775

N#COCCOC(=O)COC#N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
CYP2C19 P33261 1/20 0.30
DGKA P23743 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
SCHEMBL23130115 0.95 DGKA (0.32) ADRA2AADRA1ADGKA
SCHEMBL18828861 0.85 TSHR (0.36) DGKA
SCHEMBL23130336 0.82
SCHEMBL18854246 0.81 TSHR (0.52)
SCHEMBL27551739 0.80 NAAA (0.47) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL18854249 0.79 THRB (0.49)
SCHEMBL5611829 0.78 ALDH1A1 (0.33)
SCHEMBL5142572 0.77
SCHEMBL21184636 0.77 ADRA2A (0.38) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL23129743 0.76 MAPK1 (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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 (4 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 ADRA2A 4732/4885ADRA1A 4741/4885MAPT 691/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ADRA2A 4834/4885ADRA1A 4870/4885MAPT 2725/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 ADRA2A 4732/4885ADRA1A 4741/4885MAPT 691/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ADRA2A 4834/4885ADRA1A 4870/4885MAPT 2725/4885

“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.