SCHEMBL1688831

SCHEMBL1688831

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CTSS P25774 6/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
PPARA Q07869 2/20 0.40
CAPN1 P07384 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL31385382 0.92 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13044371 0.92 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL16020434 0.90 CYP1A2 (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL19236423 0.89 CYP1A2 (0.58) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1088542 0.88 PPARA (0.51) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1100322 0.88 PPARA (0.51) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL29915508 0.85 TSHR (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1867256 0.85 CTSS (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13044365 0.85 CYP1A2 (0.45) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL34465210 0.85 CYP1A2 (0.42) CTSKCTSSCTSLCTSBCYP1A2

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 CTSK 4427/4885CTSS 4745/4885CTSL 4344/4885

“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.