SCHEMBL15093271

SCHEMBL15093271

CC(C)C(=O)OCOc1ccccc1C(=O)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)c1ccccc1OCOC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.40
CDC25B P30305 1/20 0.39
ELANE P08246 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
ABCB1 P08183 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCRTR1 O43613 1/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL1979973 0.91 ALDH1A1 (0.44) TSHRALDH1A1HTTKDM4ELMNA
SCHEMBL15092822 0.86 ALDH1A1 (0.42) TSHRALDH1A1CDC25BELANEKDM4E
SCHEMBL15093081 0.85 ALDH1A1 (0.40) TSHRALDH1A1HTTCDC25BELANE
SCHEMBL1980987 0.85 LMNA (0.46) TSHRALDH1A1HTTELANELMNA
SCHEMBL15092737 0.84 TSHR (0.44) TSHRALDH1A1CDC25BELANEKDM4E
SCHEMBL1913998 0.82 ELANE (0.49) TSHRALDH1A1CDC25BELANEKDM4E
SCHEMBL15093123 0.82 CDC25B (0.44) TSHRALDH1A1CDC25BELANEKDM4E
SCHEMBL15092965 0.82 ELANE (0.54) TSHRALDH1A1CDC25BELANEKDM4E
SCHEMBL15093047 0.82 TSHR (0.49) TSHRALDH1A1HTTCDC25BELANE
SCHEMBL15093223 0.82 TSHR (0.37) TSHRALDH1A1HTTKDM4ELMNA

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 4 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
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

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 TSHR 2165/4885ALDH1A1 163/4885HTT 3107/4885

“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.