SCHEMBL5510075

SCHEMBL5510075

COC(=O)c1cc(CCCCF)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
CYP4A11 Q02928 4/20 0.43
CYP4F2 P78329 3/20 0.43
ALDH1A1 P00352 1/20 0.42
AR P10275 1/20 0.41
ACACB O00763 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NR3C2 P08235 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36

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
SCHEMBL5511246 0.99 PARP1 (0.44) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL22335931 0.87 CYP4A11 (0.57) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL5517940 0.86 PARP1 (0.45) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL25801705 0.86 AR (0.47) PARP1CYP4A11CYP4F2ARSMYD3
SCHEMBL4871286 0.85 CYP4A11 (0.54) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL5519053 0.85 PARP1 (0.42) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL5511839 0.83 PARP1 (0.43) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL5514986 0.83 PARP1 (0.43) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL5519691 0.83 PARP1 (0.45) PARP1CYP4A11CYP4F2ALDH1A1AR
SCHEMBL9518746 0.82 CYP4A11 (0.54) PARP1CYP4A11CYP4F2ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
EP-1529052-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US disclosed
US-20040116690-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-06-17 US disclosed
WO-2004016632-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-02-26 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN PARP1 2815/4885CYP4A11 4746/4885CYP4F2 4591/4885

“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.