SCHEMBL1688833

SCHEMBL1688833

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 1/20 0.46
CTSK P43235 8/20 0.46
CACNA1B Q00975 5/20 0.45
CTSS P25774 6/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL24313584 1.00 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL8349514 0.93 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL7298384 0.93 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL15166934 0.93 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL25491886 0.90 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL25492170 0.87 CYP2D6 (0.46) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL25492261 0.87 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL2018992 0.86 CTSK (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL344762 0.86 CTSK (0.48) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL15075041 0.86 CYP2D6 (0.54) CYP1A2CYP2C9CYP2C19HTTCYP2D6

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 3 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
WO-2011115080-A1 POLYAMIC ACID ESTER LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM USING SAME 日産化学工業株式会社 (JP) 2011-09-22 WO 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.