SCHEMBL378397

SCHEMBL378397

O=[N+]([O-])c1ccc(CCCO)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
KCNJ1 P48048 2/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
KCNH2 Q12809 2/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA2 P00918 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
IDO1 P14902 3/20 0.48
PKM P14618 1/20 0.48
AKR1C3 P42330 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL358325 0.94 TSHR (0.75) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL10879042 0.92 TSHR (0.72) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL9545598 0.92 TSHR (0.72) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL6455031 0.92 TSHR (0.72) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL250473 0.88 TSHR (1.00) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL30758863 0.87 TSHR (0.69) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL18913824 0.87 TSHR (0.69) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL9385011 0.86 TSHR (0.64) TSHRKCNJ1LOXL2KCNH2ALDH1A1
SCHEMBL9317263 0.85 TSHR (0.62) TSHRKCNJ1KCNH2CA2CHRM2
Methyl Alcohol SCHEMBL5318262 0.84 TSHR (0.92) TSHRKCNJ1LOXL2KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591793-A Preparation method of halogen-free flame-retardant latex 世慕安防科技(江苏)有限公司 2025-03-11 CN claimed
CN-118624324-A Preparation and value setting method of high-purity paranitrotoluene standard substance 西安近代化学研究所 2024-09-10 CN claimed
CN-103288751-B A kind of preparation method of high-purity nifekalant hydrochloride BAILI PHARMACEUTICAL CO., LTD., SICHUAN PROV. (CN) 2016-04-20 CN claimed
CN-103288751-A Preparation method of high-purity nifekalant hydrochloride SICHUAN BIOKIN PHARMACEUTICAL CO LTD 2013-09-11 CN claimed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US claimed
JP-3294260-A None JP disclosed
CN-119591793-A Preparation method of halogen-free flame-retardant latex 世慕安防科技(江苏)有限公司 2025-03-11 CN disclosed
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
CN-118624324-A Preparation and value setting method of high-purity paranitrotoluene standard substance 西安近代化学研究所 2024-09-10 CN disclosed
US-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE C4 THERAPEUTICS, INC. 2024-08-29 US disclosed
CN-117089070-B Liquid crystal aligning agent and application thereof 波米科技有限公司 2024-04-16 CN disclosed
WO-2024067560-A1 SULFONAMIDE COMPOUND AND MEDICAL USE THEREOF 中国药科大学 2024-04-04 WO disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4720581-A ANTISEPTICS, PRESERVATIVES SANOFI (FR) 1988-01-19 US disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0130025-B1 2-ALKYLTHIOPENEM DERIVATIVES PFIZER INC. (US) 1987-07-08 EP disclosed
CN-86102923-A The method for preparing antibiotic derivatives 1986-11-12 CN disclosed
US-4619924-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed
EP-0130025-A1 2-Alkylthiopenem derivatives PFIZER INC. (US) 1985-01-02 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-20240287076-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TSHR 3544/4885KCNJ1 4760/4885LOXL2 463/4885
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 TSHR 972/4885KCNJ1 4468/4885LOXL2 2438/4885

“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.