SCHEMBL21891971

SCHEMBL21891971

CCCCOC(=O)CCC(OC#N)C(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.39
ATM Q13315 2/20 0.36
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 1/20 0.34

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 0.85 L3MBTL1 (0.39) DGKAALDH1A1ATMTSHRCYP3A4
SCHEMBL21184642 0.81 ADRA2A (0.32) DGKAMAPT
SCHEMBL21891763 0.81 L3MBTL1 (0.46) ALDH1A1TSHRHPGD
SCHEMBL23130267 0.80 DGKA (0.33) DGKAALDH1A1
SCHEMBL27769420 0.80 DGKA (0.46) DGKAALDH1A1HTR2CNAAAATM
SCHEMBL23130381 0.79 L3MBTL1 (0.37) DGKAALDH1A1
SCHEMBL23130112 0.79 ALDH1A1 (0.34) ALDH1A1NAAAATMTSHRCYP3A4
SCHEMBL23130366 0.77 HDAC1 (0.33) ALDH1A1HTR2CTSHRTDP1
SCHEMBL23130357 0.77 CA2 (0.34) DGKAALDH1A1ATMTSHRCYP3A4
SCHEMBL21891847 0.77

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-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 (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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 DGKA 1635/4885ALDH1A1 1502/4885CYP2C9 61/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 DGKA 1635/4885ALDH1A1 1502/4885CYP2C9 61/4885

“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.