SCHEMBL3133963

SCHEMBL3133963

CCOC(=O)C(CC)(CC)P(=O)(O)OCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
MMP8 P22894 1/20 0.34
PKM P14618 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 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
SCHEMBL5451691 0.83 MAPT (0.37) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL10930331 0.83 CYP4F2 (0.37) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL1072447 0.81 CYP4F2 (0.36) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL578916 0.81 CYP4F2 (0.36) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL18759662 0.80 CYP4F2 (0.40) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL16048 0.80 CYP4F2 (0.40) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL8835291 0.80 DGAT1 (0.34)
SCHEMBL543816 0.80 CYP4F2 (0.35) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL413276 0.79 CYP4F2 (0.39) CYP4F2CYP4A11MMP8PKMALDH1A1
SCHEMBL19278938 0.79 CYP4F2 (0.39) CYP4F2CYP4A11MMP8PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 EP disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
EP-1675852-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 EP disclosed
EP-1861401-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-05 EP disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
WO-2006101603-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 WO disclosed
EP-1675852-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES Janssen Pharmaceutica N.V. (BE) 2006-07-05 EP disclosed
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 US disclosed
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones GRANT EUGENE B III (US) 2005-05-12 US disclosed
WO-2005033108-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-14 WO disclosed
US-5986131-A UNSATURATED CARBOXYLIC ACID DERIVATIVES AS LIGANDS AND RETINOIC ACID RECEPTORS HOFFMANN-LA ROCHE INC. (US) 1999-11-16 US disclosed
EP-0728742-B1 Novel retinoids HOFFMANN LA ROCHE (CH) 1999-10-20 EP disclosed
EP-0728742-A2 Novel retinoids F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP 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 (3 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-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN CYP4F2 803/4885CYP4A11 319/4885MMP8 2680/4885
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN CYP4F2 803/4885CYP4A11 319/4885MMP8 2680/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 CYP4F2 619/4885CYP4A11 301/4885MMP8 2602/4885

“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.