SCHEMBL4757907

SCHEMBL4757907

CCCC(OC(=O)CCC(=O)OC(CCC)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL17882020 0.94 ALDH1A1 (0.44) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL17878555 0.90 LMNA (0.40) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL17860698 0.88 LMNA (0.39) LMNAMAPTMAPK1ALDH1A1CHRM1
SCHEMBL5962564 0.84 LMNA (0.56) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL5962581 0.84 LMNA (0.56) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL14991338 0.82 CHRM1 (0.37) LMNAALDH1A1CHRM1AKR1A1CHRM3
SCHEMBL24593948 0.82 LMNA (0.53) LMNAMAPTMAPK1ALDH1A1TDP1
SCHEMBL17882025 0.82 LMNA (0.48) LMNAMAPTMAPK1ALDH1A1TDP1
SCHEMBL21695014 0.82 MGAM (0.41) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL28084580 0.80 TRPV1 (0.44) LMNAMAPTALDH1A1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723750-B1 DIKETOPYRROLOPYRROLE OLIGOMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES CLAP CO LTD (KR) 2022-08-10 EP disclosed
EP-2751855-B1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS BASF SE (DE) 2020-10-28 EP disclosed
EP-2751855-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS BASF SE (DE) 2014-07-09 EP disclosed
EP-2723750-A1 DIKETOPYRROLOPYRROLE OLIGOMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2014-04-30 EP disclosed
WO-2013030325-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS BASF SE (DE) 2013-03-07 WO disclosed
WO-2012175530-A1 DIKETOPYRROLOPYRROLE OLIGOMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-12-27 WO disclosed
EP-0962499-B2 Direct preparation of pigmentary pyrrolo-(3,4-C)pyrroles CIBA SC HOLDING AG (CH) 2008-03-05 EP disclosed
US-7326793-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US disclosed
EP-1425282-B1 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SC HOLDING AG (CH) 2007-03-21 EP disclosed
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US disclosed
EP-1436296-B1 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO[3,4-C]PYRROLES CIBA SC HOLDING AG (CH) 2006-03-22 EP disclosed
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material BASF SE (DE) 2004-12-09 US disclosed
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed
EP-1436296-A2 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO 3,4-C]PYRROLES Ciba SC Holding AG (CH) 2004-07-14 EP disclosed
EP-1425282-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES Ciba SC Holding AG (CH) 2004-06-09 EP disclosed
WO-2003022848-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 WO disclosed
WO-2003022847-A2 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO[3,4-C]PYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 WO disclosed
EP-0962499-B1 Direct preparation of pigmentary pyrrolo-(3,4-C)pyrroles CIBA SC HOLDING AG (CH) 2003-03-05 EP disclosed
EP-0962499-A2 Direct preparation of pigmentary pyrrolo-(3,4-C)pyrroles Ciba SC Holding AG (CH) 1999-12-08 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-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material PAXBP1, PAX3, PPOX LMNA 4175/4885MAPT 1138/4885MAPK1 875/4885
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material MKI67, PAH, PKLR LMNA 3162/4885MAPT 2491/4885MAPK1 59/4885

“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.