SCHEMBL12438185

SCHEMBL12438185

CCC(C)c1ccc2c(c1)OCCc1nc(C)[nH]c1-2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.37
PIK3CB P42338 11/20 0.37
PIK3CG P48736 8/20 0.37
PIK3CD O00329 6/20 0.37
SCN10A Q9Y5Y9 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL15747147 0.81 PIK3CD (0.35) PIK3CAPIK3CBPIK3CGPIK3CDALDH1A1
SCHEMBL2756732 0.81 ALDH1A1 (0.36) PIK3CAPIK3CBPIK3CGPIK3CDALDH1A1
SCHEMBL10141067 0.79 PIK3CA (0.35) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL10118799 0.77 KLK7 (0.35) PIK3CAPIK3CBPIK3CGPIK3CDSCN10A
SCHEMBL12328338 0.76 LMNA (0.36)
SCHEMBL9980107 0.75 SCN10A (0.36) PIK3CAPIK3CBPIK3CGPIK3CDSCN10A
SCHEMBL10119926 0.74 KLK7 (0.33) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL10147390 0.72 MAOB (0.34) PIK3CAPIK3CBPIK3CGPIK3CDALDH1A1
SCHEMBL18948587 0.72 MAOB (0.34) PIK3CAPIK3CBPIK3CGPIK3CDALDH1A1
SCHEMBL14311753 0.70 OGA (0.44) USP2ALDH1A1GAAPKMHPGD

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 PIK3CA 1794/4885PIK3CB 825/4885PIK3CG 912/4885

“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.