SCHEMBL13875314

SCHEMBL13875314

Cc1ccc2c(c1)CC(=O)c1cc(C(C)C(=O)C(C)C)ccc1O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.38
ABCC4 O15439 1/20 0.38
PTGS2 P35354 2/20 0.37
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 5/20 0.35
METAP1 P53582 1/20 0.33
ATM Q13315 3/20 0.33
RAD52 P43351 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32

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
Bermoprofen SCHEMBL25434 0.89 PTGS1 (0.49) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL14434968 0.89 PTGS1 (0.41) PTGS1ABCC4PTGS2OPRK1PDE4D
Bermoprofen SCHEMBL29454489 0.89 PTGS1 (0.49) PTGS1ABCC4PTGS2OPRK1PDE4D
Bermoprofen SCHEMBL11441448 0.87 PTGS1 (0.39) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL13241522 0.85 LMNA (0.37) PTGS1ABCC4KDM4EMETAP1ATM
SCHEMBL13220682 0.83 KDM4E (0.35) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL11576098 0.80 KDM4E (0.45) KDM4EMETAP1ATMRAD52HTT
SCHEMBL13777304 0.80 KDM4E (0.39) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL11344285 0.79 PTGS1 (0.33) PTGS1ABCC4PTGS2OPRK1PDE4D
SCHEMBL29481375 0.78 LMNA (0.38) MEN1ALDH1A1KMT2A

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-8802726-B2 Use of nitrooxyderivative of drug for the treatment of muscular dystrophies NICOX S.A. (FR) 2014-08-12 US disclosed
US-8575222-B2 Use of nitrooxyderivatives of drug for the treatment of muscular dystrophies NICOX S.A. (FR) 2013-11-05 US disclosed
US-20130137765-A1 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2013-05-30 US disclosed
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies NICOX SA (FR) 2009-04-09 US disclosed
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies NICOX SA (FR) 2009-04-09 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 (2 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-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies TNNC1, CPT1B, SMN1; SMN2 PTGS1 292/4885ABCC4 2575/4885PTGS2 440/4885
US-20130137765-A1 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES TNNC1, CPT1B, SMN1; SMN2 PTGS1 248/4885ABCC4 2573/4885PTGS2 489/4885

“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.