SCHEMBL15093047

SCHEMBL15093047

CCOC(=O)OCOc1ccccc1C(=O)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)c1ccccc1OCOC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CDC25B P30305 1/20 0.47
HCRTR1 O43613 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.39
TBXAS1 P24557 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1983055 0.92 TSHR (0.50) TSHRHCRTR1ALDH1A1HSD17B10L3MBTL1
SCHEMBL15092695 0.90 ALDH1A1 (0.51) TSHRCDC25BALDH1A1L3MBTL1KDM4E
SCHEMBL15092983 0.87 TSHR (0.54) TSHRALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL15092737 0.86 TSHR (0.44) TSHRCDC25BHCRTR1ALDH1A1L3MBTL1
SCHEMBL1979142 0.85 LMNA (0.45) TSHRHCRTR1ALDH1A1HSD17B10ABCB1
SCHEMBL14244316 0.85 TSHR (0.53) TSHRCDC25BALDH1A1HSD17B10L3MBTL1
SCHEMBL15092822 0.85 ALDH1A1 (0.42) TSHRCDC25BHCRTR1ALDH1A1HSD17B10
SCHEMBL15093081 0.84 ALDH1A1 (0.40) TSHRCDC25BALDH1A1L3MBTL1KDM4E
SCHEMBL15092731 0.84 ELANE (0.41) TSHRCDC25BHCRTR1ALDH1A1KDM4E
SCHEMBL15093123 0.84 CDC25B (0.44) TSHRCDC25BHCRTR1ALDH1A1L3MBTL1

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 2 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

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 2165/4885CDC25B 1244/4885HCRTR1 1582/4885

“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.