SCHEMBL5024754

SCHEMBL5024754

CCC(CC(=O)O)C(O)(CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.36
ACLY P53396 1/20 0.36
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR3 O14843 1/20 0.31
PGD P52209 1/20 0.31
GPR84 Q9NQS5 4/20 0.31

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
SCHEMBL1300675 0.77 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL26984814 0.76 HMGCR (0.39) SLC22A6ALDH1A1TDP1FFAR3PGD
SCHEMBL31430102 0.73 SLC22A6 (0.31) SLC22A6MEN1ALDH1A1CYP1A2THRB
SCHEMBL14261124 0.73 SLC22A6 (0.38) SLC22A6TDP1FFAR3PGDGPR84
SCHEMBL15555383 0.73 SLC22A6 (0.38) SLC22A6TDP1FFAR3PGDGPR84
SCHEMBL1201912 0.72 SLC22A6 (0.30) SLC22A6
SCHEMBL16467958 0.71 TSHR (0.40) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL20702119 0.71 CPT2 (0.35) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1604218 0.71 SLC22A6 (0.36) SLC22A6TDP1FFAR3GPR84
SCHEMBL17467172 0.71 TDP1 (0.36) CPT2SLC22A6TDP1FFAR3GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772646-B1 FLUOROELASTOMER MOULDING PROCESS DU PONT (US) 2000-03-01 EP claimed
EP-0772646-A4 FLUOROELASTOMER MOULDING PROCESS DU PONT (US) 1997-12-10 EP claimed
EP-0772646-A1 FLUOROELASTOMER MOULDING PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-14 EP claimed
WO-1996001870-A1 FLUOROELASTOMER MOULDING PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-25 WO claimed
EP-0691371-A1 Fluoroelastomer compositions DU PONT DE NEMOURS INTERNATIONAL S.A. (CH) 1996-01-10 EP claimed
WO-2013143881-A1 CARBOXYLIC ESTER OR POLYETHER ESTER AS PROCESSING AID FOR FLUORO RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2013-10-03 WO disclosed
EP-2644648-A1 Carboxylic acid esters or polyetheresters as a processing aid for fluoro-rubbers LANXESS Deutschland GmbH (DE) 2013-10-02 EP disclosed
US-7420078-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3,5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-02 US disclosed
US-7317123-B2 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD (IL) 2008-01-08 US disclosed
US-20040242916-A1 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2004-12-02 US disclosed
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. 2004-09-23 US disclosed
EP-0772646-B1 FLUOROELASTOMER MOULDING PROCESS DU PONT (US) 2000-03-01 EP disclosed
EP-0772646-A4 FLUOROELASTOMER MOULDING PROCESS DU PONT (US) 1997-12-10 EP disclosed
EP-0772646-A1 FLUOROELASTOMER MOULDING PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996001870-A1 FLUOROELASTOMER MOULDING PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-01-25 WO disclosed
EP-0691371-A1 Fluoroelastomer compositions DU PONT DE NEMOURS INTERNATIONAL S.A. (CH) 1996-01-10 EP 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-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof HMGCR, CYP46A1, CYP7A1 CPT2 586/4885ACLY 1251/4885HSPD1 3928/4885
US-20040242916-A1 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation HMGCR, DHCR7, CYP8B1 CPT2 1710/4885ACLY 1672/4885HSPD1 2519/4885

“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.