SCHEMBL4604837

SCHEMBL4604837

c1ccc(CCCCCOc2ccccc2C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
LMNA P02545 1/20 0.43
HRH1 P35367 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL13443140 0.84 CYP3A4 (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13443149 0.84 CYP3A4 (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13443138 0.84 CYP3A4 (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13443142 0.84 CYP3A4 (0.46) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13443134 0.81 HCAR2 (0.39) L3MBTL1HTR1ADRD2HPGDSMN1; SMN2
SCHEMBL13443136 0.81 CYP11B1 (0.42) HTR1ADRD2CYSLTR2CYSLTR1HPGD
SCHEMBL13443137 0.80 CYP1A2 (0.49) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13443113 0.80 HTR1A (0.59) L3MBTL1TP53HTR1ADRD2LMNA
SCHEMBL2292383 0.78 TP53 (0.49) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL9713209 0.78 KDM4E (0.46) L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 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

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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 L3MBTL1 3300/4885TP53 3516/4885CYP1A2 223/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 L3MBTL1 3489/4885TP53 4477/4885CYP1A2 275/4885

“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.