SCHEMBL12711981

SCHEMBL12711981

CC(C)C(C)c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
WRN Q14191 1/20 0.36
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.32
DAO P14920 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL680633 0.80
SCHEMBL12204156 0.80 GABBR2 (0.40) GABBR2GABBR1WRNTP53MAPT
SCHEMBL9830633 0.78
SCHEMBL21414067 0.76
SCHEMBL26100609 0.76
SCHEMBL1239420 0.76
Hydrochloric Acid SCHEMBL3707991 0.74 GABBR2 (0.41) GABBR2GABBR1WRNTP53MAPT
SCHEMBL19386720 0.74 GABBR2 (0.38) GABBR2GABBR1WRNTP53MAPT
SCHEMBL8737184 0.73 ALOX5 (0.44) TP53MAPTDAOSMN1; SMN2TOP2A
SCHEMBL12310752 0.73 ALOX5 (0.44) TP53MAPTDAOSMN1; SMN2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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 (2 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 GABBR2 1366/4885GABBR1 1823/4885WRN 4657/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN GABBR2 1513/4885GABBR1 1742/4885WRN 3298/4885

“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.