SCHEMBL2221670

SCHEMBL2221670

CC(C)(C)CC(C)(C)C(CC(=O)O)(C(=O)O)C(C)(C)CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
ALDH1A1 P00352 2/20 0.37
CPT2 P23786 2/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACLY P53396 3/20 0.31
TET2 Q6N021 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
SCHEMBL142214 0.79 CYP2C19 (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL2220186 0.76 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL5679464 0.75 TSHR (0.55) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL2220739 0.72 TDP1 (0.42) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL433760 0.70 KDM4E (0.54) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL16675272 0.70 TSHR (0.38) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL17376848 0.70 TSHR (0.38) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL14280075 0.70 ALDH1A1 (0.64) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL6910772 0.69 TSHR (0.36) CYP2C19HIF1ATSHRCYP2D6HMGCR
Methane SCHEMBL371521 0.69 KDM4E (0.52) CYP2C19HIF1ATSHRCYP2D6HMGCR

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 2096/4885TSHR 4257/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 CYP2C19 368/4885HIF1A 4823/4885TSHR 3423/4885

“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.