SCHEMBL2742479

SCHEMBL2742479

COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 1.00
CYP1B1 Q16678 3/20 1.00
ACHE P22303 8/20 0.98
MAOB P27338 1/20 0.98
CYP3A4 P08684 6/20 0.89
MAPT P10636 5/20 0.89
RAD52 P43351 5/20 0.89
KDM1A O60341 4/20 0.89
LMNA P02545 4/20 0.89
KDM4E B2RXH2 3/20 0.89
SMN1; SMN2 Q16637 3/20 0.89
POLB P06746 1/20 0.89
GAA P10253 1/20 0.89
TRPC5 Q9UL62 1/20 0.89
EP300 Q09472 6/20 0.80
CYP2D6 P10635 3/20 0.80
MAPK1 P28482 2/20 0.80
HIF1A Q16665 2/20 0.80
APP P05067 1/20 0.78
ALDH1A1 P00352 2/20 0.71

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
Hydrochloric Acid SCHEMBL3320114 0.99 RAC1 (1.00) RAC1CYP1B1ACHEMAOBCYP3A4
Columbamine SCHEMBL29395690 0.94 CYP3A4 (1.00) RAC1CYP1B1ACHEMAOBCYP3A4
Jatrorrhizine SCHEMBL29368316 0.94 CYP3A4 (1.00) RAC1CYP1B1ACHEMAOBCYP3A4
Jatrorrhizine SCHEMBL29381269 0.94 CYP3A4 (1.00) RAC1CYP1B1ACHEMAOBCYP3A4
Columbamine SCHEMBL422073 0.94 CYP3A4 (1.00) RAC1CYP1B1ACHEMAOBCYP3A4
Jatrorrhizine SCHEMBL564128 0.94 CYP3A4 (1.00) RAC1CYP1B1ACHEMAOBCYP3A4
Jatrorrhizine SCHEMBL1427435 0.93 CYP3A4 (0.98) RAC1CYP1B1ACHEMAOBCYP3A4
Jatrorrhizine SCHEMBL31238510 0.93 CYP3A4 (0.98) RAC1CYP1B1ACHEMAOBCYP3A4
Jatrorrhizine SCHEMBL21809027 0.93 CYP3A4 (0.98) RAC1CYP1B1ACHEMAOBCYP3A4
Columbamine SCHEMBL3324164 0.93 CYP3A4 (0.98) RAC1CYP1B1ACHEMAOBCYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326227-A1 STABILIZED FORMULATIONS ModernaTX, Inc. (US) 2024-02-28 EP disclosed
US-20220370616-A1 STABILIZED FORMULATIONS ARES CAPITAL CORPORATION, AS AGENT 2022-11-24 US disclosed
WO-2022226277-A1 STABILIZED FORMULATIONS MODERNATX, INC. (US) 2022-10-27 WO disclosed
CN-115192573-A Application of demethyleneberberine hydrochloride in preparation of medicine for treating pulmonary fibrosis 中国药科大学 2022-10-18 CN disclosed
CN-112294808-B Application of hydrochloric acid demethyleneberberine acetate in preparation of medicine for preventing or treating drug-induced liver injury 南京线靶生物医药科技有限公司 2022-07-05 CN disclosed
WO-2021162750-A1 BERBERINE COMPOUNDS, BERBERINE COMPOSITIONS, AND METHODS FOR ADMINISTRATION THEREOF DIGNITY HEALTH (US) 2021-08-19 WO disclosed
US-20200230118-A1 USE OF BERBERINE OR ACTIVE METABOLITE THEREOF IN PREPARATION OF DRUG FOR PREVENTING AND/OR TREATING PHENYLKETONURIA INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2020-07-23 US disclosed
US-9610281-B2 Use and preparation method of berberine compounds DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2017-04-04 US disclosed
US-20150164870-A1 USE AND PREPARATION METHOD OF BERBERINE COMPOUNDS UNIVERSITY OF CALIFORNIA, IRVINE 2015-06-18 US disclosed
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
EP-2070926-A1 13,13a-DIHYDROBERBERINE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2009-06-17 EP disclosed
US-20090048246-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2009-02-19 US disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 WO disclosed
EP-2014651-A1 Compounds and methods for modulating Rho GTPases Exonhit Therapeutics SA (FR) 2009-01-14 EP disclosed
US-20080081781-A1 Administering berberine related or derivative compound; hyperlipidemia, obesity, diabetes, insulin resistance, hyperglycemia, hypertension, elevated cholesterol INSTITUTE OF MEDICINAL BIOTECHNOLOGY (CN) 2008-04-03 US disclosed
US-20050013788-A1 Sorptive composite materials PREENTEC AG (CH) 2005-01-20 US disclosed
EP-1441849-A1 SORPTIVE COMPOSITE MATERIALS Tenaxis Gmbh (CH) 2004-08-04 EP disclosed
WO-2003037505-A1 SORPTIVE COMPOSITE MATERIALS PREENTEC AG (CH) 2003-05-08 WO 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 (7 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-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 RAC1 1/4885CYP1B1 3916/4885ACHE 4129/4885
US-20080081781-A1 Administering berberine related or derivative compound; hyperlipidemia, obesity, diabetes, insulin resistance, hyperglycemia, hypertension, elevated cholesterol INSR, HMGCR, GPR119 RAC1 3542/4885CYP1B1 495/4885ACHE 652/4885
US-20220370616-A1 STABILIZED FORMULATIONS RNMT, NSUN2, POLN RAC1 3414/4885CYP1B1 4118/4885ACHE 4790/4885
US-20050013788-A1 Sorptive composite materials MATR3, CD14, SORBS1 RAC1 2947/4885CYP1B1 4585/4885ACHE 3007/4885
US-20090048246-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, BCHE, LIPE RAC1 1813/4885CYP1B1 1911/4885ACHE 276/4885
US-20200230118-A1 USE OF BERBERINE OR ACTIVE METABOLITE THEREOF IN PREPARATION OF DRUG FOR PREVENTING AND/OR TREATING PHENYLKETONURIA PAH, BCKDK, BHMT RAC1 3936/4885CYP1B1 83/4885ACHE 2327/4885
US-20150164870-A1 USE AND PREPARATION METHOD OF BERBERINE COMPOUNDS OPRK1, OPRD1, OPRL1 RAC1 3401/4885CYP1B1 671/4885ACHE 42/4885

“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.