SCHEMBL646828

SCHEMBL646828

CCC(CC)(CC)OC(=O)CCC(=O)OC(CC)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.38
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
LMNA P02545 2/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
DGKA P23743 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16024143 0.91 EGLN1 (0.45) TSHRALDH1A1KDM6BKDM5CEGLN1
SCHEMBL27878053 0.90 ALDH1A1 (0.52) TSHRALDH1A1LMNACES2CES1
SCHEMBL21847353 0.83 ALDH1A1 (0.38) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL2967813 0.83 GAA (0.43) TSHRALDH1A1GAAMGAMSI
SCHEMBL27647632 0.82 TSHR (0.48) TSHRALDH1A1MAPTLMNA
SCHEMBL15028873 0.82 DGKA (0.55) TSHRALDH1A1MAPTLMNACES2
SCHEMBL10304766 0.82 GAA (0.30) ALDH1A1GAA
SCHEMBL129475 0.80 DGKA (0.39) TSHRALDH1A1LMNACES2CES1
SCHEMBL4936536 0.79
SCHEMBL27954348 0.79 EGLN1 (0.39) TSHRALDH1A1BLMKDM6BKDM5C

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 47 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-9362508-B2 Diketopyrrolopyrrole oligomers for use in organic semiconductor devices BASF SE (DE) 2016-06-07 US 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-20140128618-A1 DIKETOPYRROLOPYRROLE OLIGOMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2014-05-08 US 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 (1 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 TSHR 3768/4885ALDH1A1 790/4885ADRA2A 3754/4885

“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.