SCHEMBL1503617

SCHEMBL1503617

CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)OO)c(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.84
HMGCR P04035 4/20 0.84
SIRT6 Q8N6T7 2/20 0.84
NR4A2 P43354 2/20 0.84
PDE4D Q08499 2/20 0.84
ABCC3 O15438 1/20 0.84
ABCB11 O95342 1/20 0.84
PGR P06401 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
RXRA P19793 1/20 0.84
TBXA2R P21731 1/20 0.84
CCKAR P32238 1/20 0.84
ADRA1A P35348 1/20 0.84
PTGS2 P35354 1/20 0.84
SLC10A1 Q14973 1/20 0.84
KDM4E B2RXH2 1/20 0.80
ALDH1A1 P00352 1/20 0.80
LMNA P02545 1/20 0.80
CYP1A2 P05177 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80

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
SCHEMBL557533 0.94 CYP2C9 (0.83) CYP2C9HMGCRSIRT6NR4A2PDE4D
SCHEMBL5685977 0.94 CYP2C9 (0.83) CYP2C9HMGCRSIRT6NR4A2PDE4D
SCHEMBL5685975 0.94 CYP2C9 (0.83) CYP2C9HMGCRSIRT6NR4A2PDE4D
SCHEMBL1147645 0.92 CYP2C9 (0.80) CYP2C9HMGCRSIRT6NR4A2PDE4D
SCHEMBL13987098 0.92 CYP2C9 (0.80) CYP2C9HMGCRSIRT6NR4A2PDE4D
Fluvastatin SCHEMBL23468028 0.92 HMGCR (1.00) CYP2C9HMGCRSIRT6NR4A2PDE4D
Fluvastatin SCHEMBL13501651 0.92 HMGCR (1.00) CYP2C9HMGCRSIRT6NR4A2PDE4D
Fluvastatin SCHEMBL6268460 0.92 HMGCR (1.00) CYP2C9HMGCRSIRT6NR4A2PDE4D
Fluvastatin SCHEMBL2848 0.92 HMGCR (1.00) CYP2C9HMGCRSIRT6NR4A2PDE4D
Fluvastatin SCHEMBL2849 0.92 HMGCR (1.00) CYP2C9HMGCRSIRT6NR4A2PDE4D

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 7 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-20200093790-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME AMARIN CORPORATION PLC. (IE) 2020-03-26 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CYP2C9 284/4885HMGCR 1/4885SIRT6 1244/4885
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 CYP2C9 316/4885HMGCR 1/4885SIRT6 1157/4885
US-20200093790-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME HMGCR, ELOVL3, SCD CYP2C9 284/4885HMGCR 1/4885SIRT6 1244/4885
US-10493058-B2 Pharmaceutical composition comprising omega-3 fatty acid and hydroxy-derivative of a statin and methods of using same HMGCR, ELOVL3, SCD CYP2C9 284/4885HMGCR 1/4885SIRT6 1244/4885
US-11007173-B2 Pharmaceutical composition comprising omega-3 fatty acid and hydroxy-derivative of a statin and methods of using same HMGCR, ELOVL3, SCD CYP2C9 284/4885HMGCR 1/4885SIRT6 1244/4885
US-20110071176-A1 PHARMACEUTICAL COMPOSITION COMPRISING OMEGA-3 FATTY ACID AND HYDROXY-DERIVATIVE OF A STATIN AND METHODS OF USING SAME HMGCR, ELOVL3, SCD CYP2C9 284/4885HMGCR 1/4885SIRT6 1244/4885

“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.