SCHEMBL646201

SCHEMBL646201

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.38
DGKA P23743 1/20 0.38
CES2 O00748 5/20 0.37
CES1 P23141 5/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
AKR1B1 P15121 1/20 0.34
TP53 P04637 1/20 0.34
FAAH O00519 1/20 0.34
HTR2C P28335 1/20 0.34
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
GPR84 Q9NQS5 1/20 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
SCHEMBL26978208 0.92 AKR1B1 (0.43) PAMALDH1A1AKR1B1TSHRSLC22A6
SCHEMBL11820606 0.92 PAM (0.48) PAMDGKACES2CES1ALDH1A1
SCHEMBL20918464 0.90 DGKA (0.52) PAMDGKACES2CES1ALDH1A1
SCHEMBL28727569 0.87 CA1 (0.39) PAMDGKACES2CES1ALDH1A1
SCHEMBL29166841 0.87 NAAA (0.42) PAMDGKACES2CES1ALDH1A1
SCHEMBL26767143 0.87 CYP1A2 (0.48) PAMDGKAALDH1A1LMNAHTR2C
SCHEMBL26978207 0.87 TSHR (0.47) PAMALDH1A1AKR1B1TSHRSLC22A6
SCHEMBL15093590 0.87 LMNA (0.34) PAMDGKACES2CES1ALDH1A1
SCHEMBL645760 0.86 ALDH1A1 (0.39) DGKACES2CES1ALDH1A1LMNA
SCHEMBL28949796 0.86 DGKA (0.52) PAMDGKACES2CES1ALDH1A1

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 88 patents — showing the first 20. 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-2216312-B1 PROCESS FOR PRODUCING ORGANIC COMPOUND M TECHNIQUE CO LTD (JP) 2019-05-01 EP disclosed
EP-2184109-B1 METHOD FOR PRODUCING NANOPARTICLES BY FORCED ULTRA-THIN FILM ROTARY PROCESSING M TECHNIQUE CO LTD (JP) 2017-08-23 EP disclosed
US-9211510-B2 Method for producing nanoparticles by forced ultrathin film rotary processing M. TECHNIQUE CO., LTD. (JP) 2015-12-15 US disclosed
US-9209412-B2 Diketopyrrolopyrrole oligomers and compositions, comprising diketopyrrolopyrrole oligomers BASF SE (DE) 2015-12-08 US disclosed
US-8883889-B2 Pigment compositions comprising pyrrolo[3,4-c]pyrroles BASF SE (DE) 2014-11-11 US disclosed
US-20140217329-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2014-08-07 US disclosed
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC. (US) 2014-07-24 US disclosed
EP-2751855-A1 DIKETOPYRROLOPYRROLE OLIGOMERS AND COMPOSITIONS, COMPRISING DIKETOPYRROLOPYRROLE OLIGOMERS BASF SE (DE) 2014-07-09 EP disclosed
EP-0962499-B1 Direct preparation of pigmentary pyrrolo-(3,4-C)pyrroles CIBA SC HOLDING AG (CH) 2003-03-05 EP disclosed
US-6361594-B1 ONE-STEP PROCESS USING CRYSTAL GROWTH INHIBITORS DURING SYNTHESIS; NO SIZE REDUCTION NEEDED; HIGH DISPERSABILITY, TINCTORIAL STRENGTH, PURITY, AND MIGRATION, HEAT, LIGHT AND WEATHERING FASTNESS CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-26 US disclosed
US-20020010331-A1 Reacting succinic diester with nitrile CLARIANT GMBH 2002-01-24 US disclosed
US-6057449-A HEATING A DISUCCINATE WITH A NITRILE IN THE PRESENCE OF BASE CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US disclosed
EP-0962499-A2 Direct preparation of pigmentary pyrrolo-(3,4-C)pyrroles Ciba SC Holding AG (CH) 1999-12-08 EP disclosed
US-5492564-A HIGH OPACITY, COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
US-4749795-A Phenyl substituted pyrrolinones CIBA-GEIGY CORPORATION (US) 1988-06-07 US disclosed
US-4720305-A Mixtures of pigments CIBA-GEIGY CORPORATION (US) 1988-01-19 US disclosed
US-4681971-A Phenyl substituted aminodicarboxylate esters CIBA-GEIGY CORPORATION (US) 1987-07-21 US disclosed
US-4579949-A REACTING DISUCCINATE WITH NITRILES CIBA-GEIGY CORPORATION (US) 1986-04-01 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 (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-20020010331-A1 Reacting succinic diester with nitrile SDHA, QDPR, SDHB PAM 3134/4885DGKA 954/4885CES2 3450/4885
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 PAM 4073/4885DGKA 403/4885CES2 1246/4885

“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.