SCHEMBL1688822

SCHEMBL1688822

COCC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.50
CTSK P43235 10/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CAPN1 P07384 1/20 0.44
PPARA Q07869 1/20 0.41

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
SCHEMBL10796108 0.93 CTSS (0.50) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL4452913 0.93 CTSS (0.50) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL10796111 0.93 CTSS (0.50) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL12396372 0.88 CTSS (0.47) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL25886335 0.88 CTSS (0.47) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL25886340 0.87 CTSK (0.49) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL13402318 0.87 CTSK (0.49) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL28140915 0.87 CTSK (0.49) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL14923491 0.86 CTSS (0.49) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL580779 0.86 PPARA (0.53) CTSSCTSKCTSLCTSBCA1

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
US-7691558-B2 Photosensitive composition, compound for use in the photosensitive composition and pattern forming method using the photosensitive composition FUJIFILM CORPORATION (JP) 2010-04-06 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 CTSS 4745/4885CTSK 4427/4885CTSL 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.