SCHEMBL16264338

SCHEMBL16264338

CCC(CCC(C)C)COC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
PIK3CD O00329 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7160143 0.87 PIK3CD (0.37) PIK3CDALDH1A1
SCHEMBL13607230 0.86 CYP3A4 (0.41) CYP3A4PIK3CDL3MBTL1ALDH1A1TSHR
SCHEMBL1170183 0.82 PIK3CD (0.34) PIK3CDALDH1A1
SCHEMBL17189597 0.81 CYP3A4 (0.33) CYP3A4L3MBTL1
SCHEMBL12039728 0.80 PIK3CD (0.33) PIK3CDALDH1A1
SCHEMBL12555548 0.79
SCHEMBL497722 0.79
SCHEMBL598867 0.78 TRPM8 (0.36) CYP3A4ALDH1A1TSHRTDP1
SCHEMBL10536474 0.78
SCHEMBL87734 0.78

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 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-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CYP3A4 4447/4885PIK3CD 2008/4885L3MBTL1 3622/4885

“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.