SCHEMBL865590

SCHEMBL865590

CCOC(=O)C(C)(C)CCCCCNc1cc(C)c(C)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43
PTGER4 P35408 3/20 0.42
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.36
PRSS1 P07477 4/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34
KCNQ3 O43525 1/20 0.33

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
SCHEMBL13496382 0.86 GUCY1A1 (0.58) GUCY1A1GUCY1B1PTGER4MAPTGAA
SCHEMBL863870 0.81 MAPT (0.47) CYP4F2CYP4A11GUCY1A1GUCY1B1PTGER4
SCHEMBL864908 0.75 KDM4E (0.50) GUCY1A1GUCY1B1PTGER4MAPTGAA
SCHEMBL12959658 0.74 PRSS1 (0.41) PRSS1
SCHEMBL864351 0.73 KDM4E (0.47) GUCY1A1GUCY1B1MAPTGAAKDM4E
SCHEMBL6254544 0.73 CYP4F2 (0.85) CYP4F2CYP4A11MAPTGAAKDM4E
SCHEMBL6257314 0.73 CYP4F2 (0.85) CYP4F2CYP4A11MAPTGAAKDM4E
SCHEMBL864262 0.72 ALDH1A1 (0.51) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL28423866 0.72 KDM4E (0.45) GUCY1A1GUCY1B1PTGER4MAPTGAA
SCHEMBL864653 0.71 ALDH1A1 (0.46) PTGER4MAPTGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CYP4F2 77/4885CYP4A11 1557/4885GUCY1A1 1680/4885

“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.