SCHEMBL6856960

SCHEMBL6856960

COCc1c([C@H](C)CO)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.89
TBXA2R P21731 2/20 0.89
ADRA1A P35348 2/20 0.89
ESR1 P03372 1/20 0.89
CHRM1 P11229 1/20 0.89
PDE4A P27815 1/20 0.89
PDE4D Q08499 3/20 0.54
NR1I2 O75469 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
PDE6D O43924 1/20 0.54
GCGR P47871 1/20 0.49
NR4A2 P43354 2/20 0.47
CYP2C9 P11712 3/20 0.46
SIRT6 Q8N6T7 2/20 0.46
ABCC3 O15438 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
RXRA P19793 1/20 0.46

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
SCHEMBL23366186 1.00 HMGCR (0.89) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL6241954 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL29623902 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL14879523 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL6241950 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL5508954 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL10024041 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL29379484 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL5508956 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1
Cerivastatin SCHEMBL16346 0.94 HMGCR (1.00) HMGCRTBXA2RADRA1AESR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007173-B2 Pharmaceutical composition comprising omega-3 fatty acid and hydroxy-derivative of a statin and methods of using same AMARIN PHARMACEUTICALS IRELAND LIMITED (IE) 2021-05-18 US disclosed
US-10493058-B2 Pharmaceutical composition comprising omega-3 fatty acid and hydroxy-derivative of a statin and methods of using same AMARIN PHARMACEUTICALS IRELAND LIMITED (IE) 2019-12-03 US disclosed
US-20150265574-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME AMARIN PHARMACEUTICALS IRELAND LIMITED (IE) 2015-09-24 US disclosed
EP-2480248-B1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME AMARIN PHARMACEUTICALS IE LTD (IE) 2015-09-02 EP disclosed
US-20140080850-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN OMEGA-3 FATTY ACID AND A HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME AMARIN PHARMACEUTICALS IRELAND LIMITED (IE) 2014-03-20 US disclosed
WO-2011038122-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME AMARIN CORPORATION PLC (IE) 2011-03-31 WO disclosed
US-20110071176-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME AMARIN PHARMA, INC. (US) 2011-03-24 US disclosed
US-5849749-A 6-(hydroxymethyl-ethyl)pyridines BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 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 (5 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-20150265574-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME HMGCR, ELOVL3, SCD HMGCR 1/4885TBXA2R 215/4885ADRA1A 981/4885
US-20140080850-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN OMEGA-3 FATTY ACID AND A HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME HMGCR, ELOVL3, FABP3 HMGCR 1/4885TBXA2R 203/4885ADRA1A 720/4885
US-10493058-B2 Pharmaceutical composition comprising omega-3 fatty acid and hydroxy-derivative of a statin and methods of using same HMGCR, ELOVL3, SCD HMGCR 1/4885TBXA2R 215/4885ADRA1A 981/4885
US-11007173-B2 Pharmaceutical composition comprising omega-3 fatty acid and hydroxy-derivative of a statin and methods of using same HMGCR, ELOVL3, SCD HMGCR 1/4885TBXA2R 215/4885ADRA1A 981/4885
US-20110071176-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME HMGCR, ELOVL3, SCD HMGCR 1/4885TBXA2R 215/4885ADRA1A 981/4885

“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.