SCHEMBL2220563

SCHEMBL2220563

Cc1ccc(C(CC(=O)O)(C(=O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
MIF P14174 1/20 0.41
KIF11 P52732 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
SLC13A5 Q86YT5 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28305527 0.94 CYP2C19 (0.52) CYP2C19HIF1ANPC1MAPTRAB9A
SCHEMBL4214180 0.82 CA2 (0.48) CYP2C19HIF1AMIFKIF11ALDH1A1
SCHEMBL374784 0.81 CYP2C19 (0.57) CYP2C19HIF1AMAPTKMT2AMIF
SCHEMBL1253192 0.81 ALDH1A1 (0.47) CYP2C19NPC1MAPTRAB9AKMT2A
SCHEMBL30753736 0.80 KCNN4 (0.44) CYP2C19HIF1ANPC1MAPTRAB9A
SCHEMBL12258218 0.80 CYP2C19 (0.42) CYP2C19HIF1ANPC1MAPTRAB9A
SCHEMBL2218565 0.80 MIF (0.66) CYP2C19HIF1AMAPTKMT2AMIF
SCHEMBL4016404 0.80 HIF1A (0.43) CYP2C19HIF1AMAPTRAB9AKMT2A
SCHEMBL8631216 0.79 HSD17B10 (0.46) NPC1MAPTRAB9AKIF11ALDH1A1
SCHEMBL28874852 0.79 CYP2C19 (0.56) CYP2C19HIF1ANPC1MAPTRAB9A

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 14 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

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 2096/4885NPC1 1733/4885
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD OR10J3, PORCN, ABCG2 CYP2C19 368/4885HIF1A 4823/4885NPC1 347/4885

“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.