SCHEMBL2677628

SCHEMBL2677628

CCCCCCC(O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 1/20 0.50
CSNK1E P49674 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.48
SIRT1 Q96EB6 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 1/20 0.48
SIRT3 Q9NTG7 1/20 0.47

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
SCHEMBL7305728 1.00 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7305733 1.00 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27424922 1.00 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL21245794 1.00 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL3736932 1.00 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL16648466 1.00 CETP (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL16648564 0.98 ALDH1A1 (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL16648567 0.98 ALDH1A1 (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL30759387 0.94 ALDH1A1 (0.54) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL6869938 0.94 ALDH1A1 (0.54) CETPALDH1A1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2013-01-24 US disclosed
CN-1434795-B Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA 2012-11-14 CN disclosed
US-8173133-B2 Acyl pseudodipeptides which carry a functionalized auxiliary arm OM PHARMA (CH) 2012-05-08 US disclosed
CN-101164543-B Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA 2012-03-21 CN disclosed
US-7799762-B2 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2010-09-21 US disclosed
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM OM PHARMA (CH) 2010-08-26 US disclosed
CN-101164543-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2008-04-23 CN disclosed
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA (CH) 2005-09-01 US disclosed
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2003-10-30 US disclosed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN disclosed
WO-1999054344-A1 COMPOSITION COMPRISING A COMBINATION OF DERIVATISED CATIONIC LIPOSOMES AND ACTIVE AGENT IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 1999-10-28 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 (4 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-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products PIGS, AADAT, CD74 CETP 90/4885ALDH1A1 3553/4885CYP3A4 3580/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 CETP 111/4885ALDH1A1 4311/4885CYP3A4 3787/4885
US-20100215685-A1 ACYL PSEUDODIPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, DNPEP, ENPP2 CETP 42/4885ALDH1A1 4136/4885CYP3A4 3615/4885
US-20130022628-A1 ACYL PSEUDOPEPTIDES WHICH CARRY A FUNCTIONALIZED AUXILIARY ARM PIGS, ENPEP, DNPEP CETP 38/4885ALDH1A1 4225/4885CYP3A4 3819/4885

“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.