SCHEMBL7606912

SCHEMBL7606912

CCCCCCCCN1N=C(C)C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
MGLL Q99685 4/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
FAAH O00519 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CES1 P23141 2/20 0.38
CDC25A P30304 1/20 0.38
POLB P06746 1/20 0.38
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
GBA1 P04062 2/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL7606893 0.73 KDM4E (0.45) ALDH1A1GAAMAPTFAAHKDM4E
SCHEMBL7798030 0.70 ALDH1A1 (0.42) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL9153141 0.69 GAA (0.96) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL7607800 0.67 MGLL (0.44) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL2365151 0.67 ALDH1A1 (1.00) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL18431725 0.66 PTGS1 (0.57) ALDH1A1MGLLPTGS1PTGS2FAAH
SCHEMBL13464705 0.66 PTGS1 (0.57) ALDH1A1MGLLPTGS1PTGS2FAAH
SCHEMBL18867006 0.66 PTGS1 (0.57) ALDH1A1MGLLPTGS1PTGS2FAAH
SCHEMBL19069240 0.66 PTGS1 (0.57) ALDH1A1MGLLPTGS1PTGS2FAAH
SCHEMBL7153652 0.64 MGLL (0.60) ALDH1A1MGLLPTGS1PTGS2FAAH

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 263/4885GAA 3671/4885MAPT 3025/4885

“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.