SCHEMBL1979966

SCHEMBL1979966

CC(C)(C)C(=O)OCOc1ccccc1C(=O)OOC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.48
LMNA P02545 2/20 0.45
F2 P00734 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A3 Q01959 1/20 0.43
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1980767 0.93 ELANE (0.47) ELANELMNAALDH1A1TSHRHTT
SCHEMBL15092965 0.85 ELANE (0.54) ELANELMNAALDH1A1TSHRTDP1
SCHEMBL1978866 0.85 LMNA (0.49) LMNAF2ALDH1A1TSHRHSD17B10
SCHEMBL1981406 0.85 ALDH1A1 (0.46) ELANELMNAF2ALDH1A1TSHR
SCHEMBL1981726 0.84 LMNA (0.47) ELANELMNAF2ALDH1A1TSHR
SCHEMBL1980987 0.83 LMNA (0.46) ELANELMNAF2ALDH1A1TSHR
SCHEMBL1979142 0.82 LMNA (0.45) LMNAF2ALDH1A1TSHRHSD17B10
SCHEMBL1981542 0.82 LMNA (0.45) LMNAF2ALDH1A1SLC6A3HIF1A
SCHEMBL15092788 0.81 ELANE (0.41) ELANEALDH1A1TSHRKMT2A
SCHEMBL1982301 0.80 MEN1 (0.51) LMNAF2ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729312-B2 Derivatives of novel peroxides, method of preparation thereof and use thereof in human medicine as well as in cosmetics for the treatment or prevention of acne GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-05-20 US claimed
US-20130178648-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-07-11 US claimed
US-8729312-B2 Derivatives of novel peroxides, method of preparation thereof and use thereof in human medicine as well as in cosmetics for the treatment or prevention of acne GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-05-20 US disclosed
EP-2509569-B1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RES & DEV (FR) 2013-12-04 EP disclosed
US-20130178648-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-07-11 US disclosed
EP-2509569-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE Galderma Research & Development (FR) 2012-10-17 EP disclosed
WO-2011070171-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 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-20130178648-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GPX4, LPO, GPX1 ELANE 691/4885LMNA 2502/4885F2 685/4885

“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.