SCHEMBL2220186

SCHEMBL2220186

CCCC(C)(C)C(CC(=O)O)(C(=O)O)C(C)(C)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
FFAR1 O14842 1/20 0.40
CPT2 P23786 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HSPD1 P10809 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
SCHEMBL2220739 0.88 TDP1 (0.42) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL142214 0.82 CYP2C19 (0.48) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL2220954 0.81 CYP2C19 (0.43) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL2221670 0.76 CYP2C19 (0.46) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL5679464 0.74 TSHR (0.55) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL2233437 0.73 CYP2C19 (0.68) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL31437945 0.73 ALDH1A1 (0.34) CYP2C19HIF1ACYP2D6TSHRALDH1A1
SCHEMBL14695271 0.72 TDP1 (0.39) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL974936 0.72 FFAR1 (0.65) CYP2C19HIF1ACYP2D6TSHRHMGCR
SCHEMBL4742763 0.72 HMGCR (0.48) CYP2C19HIF1ACYP2D6TSHRHMGCR

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 CYP2C19 344/4885HIF1A 2096/4885CYP2D6 220/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 CYP2C19 368/4885HIF1A 4823/4885CYP2D6 801/4885

“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.