SCHEMBL12436967

SCHEMBL12436967

CCc1cc(COCC(C)C)on1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC5A7 Q9GZV3 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
HPGD P15428 1/20 0.31
PPARA Q07869 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL10147191 0.87 RAB9A (0.38) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL10120844 0.87 MAPK1 (0.35) RAB9ANPC1MEN1KMT2A
SCHEMBL12231974 0.84 PPARA (0.44) RAB9AHPGDPPARA
SCHEMBL10147436 0.82 RAB9A (0.39) RAB9ANPC1EPHX2TDP1L3MBTL1
SCHEMBL10119383 0.81 PPARA (0.35) PPARA
SCHEMBL14069079 0.77 RAB9A (0.40) RAB9ANPC1EPHX2TDP1L3MBTL1
SCHEMBL10154815 0.77 RAB9A (0.46) RAB9ANPC1EPHX2HPGD
SCHEMBL1715716 0.75 RAB9A (0.39) RAB9ANPC1EPHX2TDP1L3MBTL1
SCHEMBL18949082 0.74 CDC7 (0.34) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL9285410 0.73

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
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 RAB9A 2099/4885NPC1 429/4885EPHX2 1497/4885

“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.