SCHEMBL4517620

SCHEMBL4517620

CC(C)(C)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX2 P34913 6/20 0.41
NR1H4 Q96RI1 6/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP2D6 P10635 1/20 0.37
PPARG P37231 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PON1 P27169 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL1990423 0.85 EPHX2 (0.39) CYP2C19EPHX2NR1H4ALOX15PPARG
SCHEMBL11277078 0.83 CYP2C19 (0.37) CYP2C19CYP1A2EPHX2NR1H4ALDH1A1
SCHEMBL10235441 0.82 CYP2C19 (0.47) CYP2C19CYP1A2EPHX2NR1H4ALDH1A1
SCHEMBL31012297 0.81 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL8762233 0.81 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1HPGDALOX15
SCHEMBL17069303 0.81 ATM (0.48) CYP2C19CYP1A2EPHX2NR1H4ALDH1A1
SCHEMBL4066357 0.80 CYP2C19 (0.46) CYP2C19CYP1A2EPHX2NR1H4ALDH1A1
SCHEMBL3208015 0.80 PDE2A (0.49) ALDH1A1KDM4EMAPTSLC6A2SLC6A4
SCHEMBL25530524 0.80 EPHX2 (0.43) CYP2C19CYP1A2EPHX2NR1H4ALDH1A1
SCHEMBL12401848 0.80 PNMT (0.43) CYP2C19CYP1A2EPHX2NR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940809-B1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-12-25 EP disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 US disclosed
EP-1940809-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045370-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045370-A1 TETRAZOL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 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-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 CYP2C19 399/4885CYP1A2 275/4885EPHX2 2253/4885

“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.