SCHEMBL1980987

SCHEMBL1980987

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
F2 P00734 1/20 0.46
SLC6A3 Q01959 1/20 0.44
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.38
ABCB1 P08183 2/20 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
SCHEMBL1979973 0.93 ALDH1A1 (0.44) LMNAADRB2ADRB1ADRB3HTT
SCHEMBL1978866 0.86 LMNA (0.49) LMNAF2SLC6A3HTTALDH1A1
SCHEMBL1982389 0.86 LMNA (0.42) LMNAF2SLC6A3ADRB2ADRB1
SCHEMBL15093271 0.85 TSHR (0.43) LMNAADRB2ADRB1ADRB3HTT
SCHEMBL1981726 0.85 LMNA (0.47) LMNAF2SLC6A3ADRB2ADRB1
SCHEMBL1913773 0.83 SLC6A3 (0.56) LMNAF2SLC6A3ALDH1A1TSHR
SCHEMBL1981542 0.83 LMNA (0.45) LMNAF2SLC6A3ADRB2ADRB1
SCHEMBL1979142 0.83 LMNA (0.45) LMNAF2SLC6A3HTTALDH1A1
SCHEMBL1979966 0.83 ELANE (0.48) LMNAF2SLC6A3HTTALDH1A1
SCHEMBL15093223 0.81 TSHR (0.37) LMNAADRB2ADRB1ADRB3HTT

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 12 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
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 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
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 claimed
CN-102740826-A Novel peroxide derivatives, method for the production thereof and use thereof in human medicine and in cosmetics for the treatment or prevention of acne GALDERMA RES & DEV 2012-10-17 CN claimed
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 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
CN-102740826-A Novel peroxide derivatives, method for the production thereof and use thereof in human medicine and in cosmetics for the treatment or prevention of acne GALDERMA RES & DEV 2012-10-17 CN 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 LMNA 2502/4885F2 685/4885SLC6A3 4829/4885

“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.