SCHEMBL2220739

SCHEMBL2220739

CCCCC(C)(C)C(CC(=O)O)(C(=O)O)C(C)(C)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
FFAR1 O14842 2/20 0.42
CPT2 P23786 1/20 0.42
TSHR P16473 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
AKR1B1 P15121 1/20 0.37
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35

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
SCHEMBL2220186 0.88 CYP2C19 (0.44) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL14695271 0.81 TDP1 (0.39) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL142214 0.79 CYP2C19 (0.48) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL2138191 0.75 TSHR (0.62) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL6855600 0.75 TSHR (0.62) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL28653124 0.74 AKR1B1 (0.37) TDP1FFAR1TSHRAKR1B1CA2
SCHEMBL1114580 0.74 ACLY (0.38) TDP1FFAR1TSHRAKR1B1CA2
SCHEMBL2349178 0.74 TDP1 (0.48) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL12451278 0.74 TDP1 (0.74) TDP1FFAR1CPT2TSHRCYP2D6
SCHEMBL31021331 0.74 TDP1 (0.48) TDP1FFAR1CPT2TSHRCYP2D6

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
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
US-8592498-B2 Method for producing organic compound and organic compound obtained by the method M. TECHNIQUE CO., LTD. (JP) 2013-11-26 US disclosed
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD M. TECHNIQUE CO., LTD. (JP) 2011-07-21 US disclosed
US-7728139-B2 Solvent-free process for the preparation of diketopyrrolopyrrole derivatives MCA TECHNOLOGIES GMBH (CH) 2010-06-01 US disclosed
US-20060246023-A1 for use as latent pigments; photocopiers MCA TECHNOLOGIES GMBH (CH) 2006-11-02 US 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-6057449-A HEATING A DISUCCINATE WITH A NITRILE IN THE PRESENCE OF BASE CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US 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

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-20060246023-A1 for use as latent pigments; photocopiers XPA, PPOX, ALDH1A2 TDP1 1335/4885FFAR1 4816/4885CPT2 3461/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 TDP1 1880/4885FFAR1 1837/4885CPT2 1572/4885

“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.