SCHEMBL7605546

SCHEMBL7605546

CCOC(=O)C1=NN(C(C)C)C(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 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
SCHEMBL6730791 0.81 NPSR1 (0.33) TDP1GAANPSR1
SCHEMBL6735528 0.78 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7606902 0.77 HSD17B10 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6727542 0.75 GAA (0.34) TDP1GAA
SCHEMBL6728136 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9626490 0.66 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL10711778 0.61 MAPT (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL23099065 0.60 ADORA3 (0.41) ALDH1A1SMN1; SMN2KMT2ACYP1A2MAPT
SCHEMBL22861795 0.60 CA12 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL23509267 0.60 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHSD17B10CYP1A2

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 ALDH1A1 263/4885SMN1; SMN2 4880/4885MEN1 3928/4885

“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.