SCHEMBL21891763

SCHEMBL21891763

CCOC(=O)CCC(OC#N)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.39
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 4/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 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
SCHEMBL23709898 0.91 L3MBTL1 (0.39) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL11963661 0.88 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL23130381 0.88 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL28972732 0.82 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL21891971 0.81 DGKA (0.42) ALDH1A1TSHRHPGD
SCHEMBL23130165 0.80 ALDH1A1 (0.39) KMT2AGAAMGAMSIMGAM2
SCHEMBL23130238 0.79 ZDHHC7 (0.39) ALDH1A1TSHR
SCHEMBL28972736 0.78 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL21891812 0.78 METAP2 (0.40) L3MBTL1KMT2AGAAALDH1A1TSHR
SCHEMBL21281122 0.77 TDP1 (0.35) L3MBTL1KMT2AGAAALDH1A1TSHR

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 L3MBTL1 3940/4885KMT2A 540/4885POLB 2273/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 L3MBTL1 3360/4885KMT2A 349/4885POLB 376/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 L3MBTL1 3940/4885KMT2A 540/4885POLB 2273/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 L3MBTL1 3360/4885KMT2A 349/4885POLB 376/4885

“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.