SCHEMBL6248587

SCHEMBL6248587

CC(C)(C)c1ncc(C=CC=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 2/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
XDH P47989 2/20 0.33
CCNB2 O95067 3/20 0.32
CDK1 P06493 3/20 0.32
CDK4 P11802 3/20 0.32
CCNB1 P14635 3/20 0.32
CCND1 P24385 3/20 0.32
CCNB3 Q8WWL7 3/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL6248585 1.00 GABBR2 (0.46) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL6225865 0.80 ALDH1A1 (0.39) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL6225863 0.80 ALDH1A1 (0.39) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL7439427 0.79 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL5858750 0.77 ALDH1A1 (0.43) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL5858751 0.77 ALDH1A1 (0.43) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL7565552 0.73 P4HTM (0.50) ALDH1A1MAPK1KDM4E
SCHEMBL23677885 0.72 TUBB4A (0.51) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL6226087 0.72 ALDH1A1 (0.39) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL31193475 0.72 GRM5 (0.56) GABBR2GABBR1ALDH1A1TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513856-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US disclosed
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 US disclosed
WO-2003102010-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-11 WO 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-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents CHCHD6, MRPL21, MRPS18B GABBR2 4756/4885GABBR1 4775/4885ALDH1A1 4053/4885

“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.