SCHEMBL13248014

SCHEMBL13248014

CC(C)Cc1cccc(CO)c1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.55
GABRB2 P47870 4/20 0.55
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ELANE P08246 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CTSG P08311 1/20 0.33
GABRA2 P47869 2/20 0.33
SLC6A2 P23975 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
GSK3B P49841 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 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
SCHEMBL6681981 0.79 GABRA1 (0.58) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL14551465 0.78 GABRA1 (0.83) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL487534 0.78 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL10331780 0.78 GABRA1 (0.42) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL15371488 0.76 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL22380007 0.76 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL14485064 0.76 GABRA1 (0.50) GABRA1GABRB2SLC6A2CYP2D6SLC6A4
Hydrogen Peroxide SCHEMBL10512587 0.76 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3PDCD1
SCHEMBL14485067 0.76 GABRA1 (0.50) GABRA1GABRB2SLC6A2CYP2D6SLC6A4
SCHEMBL14485548 0.74 GABRA1 (0.48) GABRA1GABRB2CDK4CCND1GSK3B

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-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 GABRA1 1910/4885GABRB2 1120/4885GABRG2 2059/4885

“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.