SCHEMBL1961805

SCHEMBL1961805

OCCOc1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.54
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
NR1I2 O75469 2/20 0.48
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH2 P05091 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 1/20 0.44
ADRB1 P08588 1/20 0.44
GAA P10253 2/20 0.43
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
BACE1 P56817 1/20 0.43
APP P05067 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL107983 0.89 ADRB2 (0.59) ADRB2CA1ADRB1KDM4EAPP
SCHEMBL107216 0.86 ADRB2 (0.62) ADRB2ALDH1A1NR1I2MAOBADRB1
SCHEMBL15387356 0.84 ADRB2 (0.61) ADRB2ALDH1A1NR1I2MAOBADRB1
SCHEMBL28813586 0.82 CYP3A4 (0.48) ADRB2ALDH1A1RECQLNR1I2CA1
SCHEMBL4647002 0.82 NR1I2 (0.46) ADRB2ALDH1A1RECQLNR1I2CA1
SCHEMBL92209 0.82 NR1I2 (0.46) ADRB2ALDH1A1RECQLNR1I2CA1
SCHEMBL1050330 0.81 LTA4H (0.60) ADRB2ALDH1A1CA1CA12CA9
SCHEMBL1053968 0.81 ADRB2 (0.62) ADRB2ALDH1A1GAAMAPTAPP
SCHEMBL14756791 0.81 ADRB2 (0.53) ADRB2ALDH1A1RECQLADRB1GAA
SCHEMBL8615953 0.79 CA1 (0.59) ALDH1A1RECQLNR1I2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118243806-A Application of metabolic marker in preparation of acute myocardial infarction product identification 山东第一医科大学(山东省医学科学院) 2024-06-25 CN claimed
CN-117000216-B Chelating agent, industrial treatment system and treatment method for desulfurization wastewater of coal-fired power plant 国能龙源环保有限公司 2023-12-08 CN claimed
CN-117000216-A Chelating agent, industrial treatment system and treatment method for desulfurization wastewater of coal-fired power plant 国能龙源环保有限公司 2023-11-07 CN claimed
CN-116908325-A Sample pretreatment liquid, method and kit capable of simultaneously detecting 12 catecholamines, metabolites and creatinine in human urine 昆明医科大学第一附属医院 2023-10-20 CN claimed
CN-113621521-B A culture method of Monascus with antioxidant and antiinflammatory effects and with effect of promoting cholesterol inhibitor production 厦门医学院 2023-09-29 CN claimed
US-20210389336-A1 METHOD FOR SIMULTANEOUS ANALYSIS OF NEUROTRANSMITTERS AND THEIR METABOLITES BASED ON DERIVATIZATION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-12-16 US claimed
US-20200205541-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2020-07-02 US claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
CN-105530922-B Composition of pentacyclic triterpene and hydroxytyrosol and derivatives thereof 纳塔克生物科技有限公司 2018-07-03 CN claimed
CN-105530922-A Composition of pentacyclic triterpene and hydroxytyrosol and derivatives thereof NATAC BIOTECH S L 2016-04-27 CN claimed
US-20130298933-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2013-11-14 US claimed
US-20100300472-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL S.A. (FR) 2010-12-02 US claimed
US-5382529-A Forming a color with a phenol or aniline compound, quantitative analysis CTS BIOCIDES LTD. (GB) 1995-01-17 US claimed
JP-11106747-A None JP disclosed
US-20240262926-A1 Fusion Protein Containing BDNF JCR PHARMACEUTICALS CO., LTD. (JP) 2024-08-08 US disclosed
CN-118243806-A Application of metabolic marker in preparation of acute myocardial infarction product identification 山东第一医科大学(山东省医学科学院) 2024-06-25 CN disclosed
JP-H11106747-A METHOD FOR DETECTING FLUORESCENCE OF HYDROXYPHENYL COMPOUND TOSOH CORP 1999-04-20 JP disclosed
EP-0327345-B1 Hair darkening compositions BEECHAM GROUP PLC (GB) 1993-10-20 EP disclosed
US-5227472-A Antigen for producing an antibody against MHPG DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 1993-07-13 US disclosed
EP-0327345-A2 Hair darkening compositions Wella Aktiengesellschaft (DE) 1989-08-09 EP 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-20200205541-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND KRT18, TUBB4A, TUBB4B ADRB2 2417/4885ALDH1A1 1099/4885RECQL 3498/4885
US-20100300472-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND KRT18, TUBB4A, TUBB4B ADRB2 2417/4885ALDH1A1 1099/4885RECQL 3498/4885

“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.