SCHEMBL7606920

SCHEMBL7606920

CCCCCCCCN1NC(C)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
FAAH O00519 2/20 0.39
GBA1 P04062 2/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 2/20 0.36
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
MAPK10 P53779 1/20 0.35
CNR2 P34972 3/20 0.34
CES1 P23141 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7606899 0.73 FAAH (0.41) FAAHALDH1A1CNR2CES1CDC25A
SCHEMBL6933521 0.68 GBA1 (0.38) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL7607806 0.66 MGLL (0.40) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL7153652 0.62 MGLL (0.60) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL9626274 0.61 MGLL (0.52) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL17999908 0.61 MGLL (0.64) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL13966396 0.61 MGLL (0.64) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL13681576 0.61 MGLL (0.64) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL4963710 0.61 MGLL (0.52) MGLLPTGS1PTGS2FAAHGBA1
SCHEMBL11840543 0.61 MGLL (0.52) MGLLPTGS1PTGS2FAAHGBA1

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-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US disclosed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US disclosed
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP disclosed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP disclosed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 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-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 MGLL 3218/4885PTGS1 2443/4885PTGS2 2042/4885

“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.