SCHEMBL1688827

SCHEMBL1688827

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.38
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CASR P41180 1/20 0.31
CYP2D6 P10635 1/20 0.30
HDAC3 O15379 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL28409176 0.87 CA14 (0.41) CA14HDAC1HDAC2HDAC6CASR
SCHEMBL1688828 0.84 CA14 (0.41) CA14HDAC1HDAC2HDAC6CASR
SCHEMBL7297469 0.83 CA14 (0.38) CA14HDAC1HDAC2HDAC6HDAC3
SCHEMBL4918504 0.80 CA14 (0.37) CA14HDAC1HDAC2HDAC6CASR
SCHEMBL20262979 0.80 CA14 (0.42) CA14HDAC1HDAC2HDAC6HDAC3
SCHEMBL7117687 0.79 CA14 (0.36) CA14HDAC1HDAC2HDAC6
SCHEMBL1688812 0.78 CA14 (0.38) CA14HDAC1HDAC2HDAC6CASR
SCHEMBL8696091 0.78 CA14 (0.43) CA14HDAC1HDAC2HDAC6CASR
SCHEMBL1105464 0.77 HDAC6 (0.34) CA14HDAC1HDAC2HDAC6
SCHEMBL18116039 0.76 CA14 (0.41) CA14HDAC1HDAC2HDAC6CASR

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 CA14 1563/4885HDAC1 3429/4885HDAC2 3785/4885

“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.