SCHEMBL1688823

SCHEMBL1688823

CNC(=O)CC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 9/20 0.43
CTSS P25774 6/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
CAPN1 P07384 1/20 0.39
ACE P12821 1/20 0.39
KLK5 Q9Y337 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL7322047 0.88 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2581187 0.87 PPARA (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL26300681 0.87 PPARA (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL14254842 0.85 SCN9A (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL29918101 0.84 CA1 (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL25507234 0.84 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13828745 0.83 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL4279525 0.83 CTSK (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1235160 0.83 CTSK (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13828997 0.83 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK

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-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 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-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 CYP1A2 4533/4885CYP2C9 4610/4885CYP2C19 4688/4885

“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.