SCHEMBL13699076

SCHEMBL13699076

CC(C)COCc1ccc2nn[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL13699310 0.83 NISCH (0.32)
SCHEMBL13625536 0.80 GABRA1 (0.40) ALDH1A1ALOX15
SCHEMBL318089 0.74 KIF11 (0.41) ALDH1A1ALOX15CA9
SCHEMBL18671255 0.73 CYP3A4 (0.46) CA2ALDH1A1
SCHEMBL14208120 0.71 CNR1 (0.39)
SCHEMBL647273 0.71 CA1 (0.44) CA1CA2CA7CA9
SCHEMBL24214987 0.71 RAD52 (0.30)
SCHEMBL12686295 0.71 GAA (0.42)
SCHEMBL10640127 0.71 CBFB (0.41) ALDH1A1ALOX15
SCHEMBL24960591 0.70 ESR1 (0.37) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CA1 4058/4885CA2 2552/4885ALDH1A1 1193/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 CA1 4836/4885CA2 3941/4885ALDH1A1 1995/4885

“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.