SCHEMBL12771096

SCHEMBL12771096

CC(=O)C[C@@H](CC(=O)C(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.44
▸ GABBR1 Q9UBS5 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ PCSK7 Q16549 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ VKORC1 Q9BQB6 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13559962 0.89 GABBR2 (0.53) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL9857599 0.87 GABBR2 (0.59) GABBR2GABBR1MAPTATMKDM4E
SCHEMBL9857550 0.83 GABBR2 (0.63) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL16588649 0.80 ALDH1A1 (0.59) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL4445085 0.79 GABBR2 (0.48) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL1500385 0.79 GABBR2 (0.48) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL2625205 0.79 LMNA (0.50) GABBR2GABBR1MTNR1AMTNR1BCYP2D6
SCHEMBL22607275 0.79 L3MBTL1 (0.69) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL17877672 0.78 GABBR2 (0.47) GABBR2GABBR1MAPTL3MBTL1ATM
SCHEMBL12841983 0.77 ALDH1A1 (0.60) GABBR2GABBR1MAPTL3MBTL1ATM

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-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — 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-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 GABBR2 4178/4885GABBR1 4230/4885MAPT 4286/4885

“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.

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