SCHEMBL13248013

SCHEMBL13248013

CCc1cc(CC)c(CC(C)C)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
TAAR1 Q96RJ0 3/20 0.32
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR2A P28223 3/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL11807767 0.79 GABRA1 (0.46) ALOX15ALOX12GABRA1GABRB2GRIN2D
SCHEMBL21884099 0.77 GABRA1 (0.43) ALOX15ALOX12GABRA1GABRB2GRIN2D
SCHEMBL10799329 0.74 GABRA1 (0.42) ALOX15ALOX12GABRA1GABRB2GRIN2D
SCHEMBL861792 0.72 NOS3 (0.37) ALOX15ALOX12GABRA1GABRB2TAAR1
SCHEMBL2747477 0.72 GABRA1 (0.35) ALOX15ALOX12GABRA1GABRB2
SCHEMBL28393776 0.69 ALOX15 (0.50) ALOX15ALOX12ALDH1A1
SCHEMBL6650753 0.68 PYCR1 (0.43) ALOX15ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL19186444 0.68 GABRA1 (0.52) ALOX15ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL30301261 0.68 ALOX15 (0.36) ALOX15ALOX12GABRA1GABRB2TAAR1
SCHEMBL169822 0.68 ALOX15 (0.36) ALOX15ALOX12GABRA1GABRB2TAAR1

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 ALOX15 2614/4885ALOX12 2348/4885GABRA1 1910/4885

“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.