SCHEMBL2218565

SCHEMBL2218565

O=C(O)CC(C(=O)O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.66
OPRM1 P35372 1/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PPARA Q07869 1/20 0.39
HIF1A Q16665 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
KIF11 P52732 1/20 0.37

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
SCHEMBL4214180 0.82 CA2 (0.48) MIFTSHRALDH1A1LMNACYP2C19
SCHEMBL374784 0.81 CYP2C19 (0.57) MIFOPRM1TSHRMAPTALDH1A1
SCHEMBL2220563 0.80 CYP2C19 (0.42) MIFTSHRMAPTALDH1A1LMNA
SCHEMBL4016404 0.80 HIF1A (0.43) MIFMAPTKDM4EALDH1A1LMNA
SCHEMBL30753736 0.80 KCNN4 (0.44) MIFMAPTLMNAMEN1KMT2A
SCHEMBL503944 0.79 MIF (1.00) MIFTSHRALOX15MAPTKDM4E
SCHEMBL28306687 0.79 KIF11 (0.46) MIFOPRM1MAPTLMNAMEN1
SCHEMBL11076816 0.78 MIF (0.74) MIFTSHRALOX15MAPTKDM4E
SCHEMBL1915421 0.77 ALDH1A1 (0.44) MIFKDM4EALDH1A1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL4469470 0.77 MIF (0.47) MIFALDH1A1LMNAMEN1KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109430-A Pigment and preparation method thereof 宁夏彩妍科技有限公司 2022-09-27 CN 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
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 MIF 4024/4885OPRM1 4077/4885TSHR 4257/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 MIF 1114/4885OPRM1 907/4885TSHR 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.