SCHEMBL6318644

SCHEMBL6318644

O=[N+]([O-])c1ccc(C#CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
OPRK1 P41145 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
CES1 P23141 1/20 0.44
P2RY6 Q15077 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL11443183 0.90 HSPB1 (0.51) TSHRCASP3SENP8SENP7SENP6
SCHEMBL22398101 0.85 TSHR (0.50) TSHRCASP3SENP8SENP7SENP6
SCHEMBL10640526 0.81 MAPT (0.49) TSHRCASP3SENP8SENP7SENP6
SCHEMBL13520587 0.81 PTPN2 (0.49) TSHRCASP3SENP8SENP7SENP6
SCHEMBL14664048 0.81 CASP3 (0.63) TSHRCASP3SENP8SENP7SENP6
SCHEMBL11338106 0.81 CASP3 (0.47) TSHRCASP3SENP8SENP7SENP6
SCHEMBL10452222 0.81 CASP3 (0.47) TSHRCASP3SENP8SENP7SENP6
SCHEMBL10102348 0.81 CASP3 (0.47) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL7581502 0.81 LOXL2 (0.52) TSHRCASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL21803710 0.79 BLM (0.52) TSHRCASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN claimed
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-06-12 US disclosed
US-20240350678-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2024-10-24 US disclosed
EP-4392080-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVision Imaging Technologies GmbH (DE) 2024-07-03 EP disclosed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 US disclosed
WO-2023026252-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2023-03-02 WO disclosed
CN-110483429-B Preparation method of 3, 5-disubstituted-4, 5-dihydroisoxazole 上海应用技术大学 2022-10-14 CN disclosed
EP-3150585-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY Parion Sciences, Inc. (US) 2017-04-05 EP disclosed
US-4973750-A Preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1990-11-27 US disclosed
EP-0200739-B1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS SCHERING CORPORATION (US) 1989-07-19 EP disclosed
US-4677214-A Intermediates for preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1987-06-30 US disclosed
EP-0200739-A1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS. SCHERING CORP (US) 1986-11-12 EP disclosed
US-4582918-A Preparation of intermediates for (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1986-04-15 US disclosed
WO-1986001799-A1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS SCHERING CORPORATION (US) 1986-03-27 WO disclosed
US-4219679-A HIGH CONVERSION GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-08-26 US disclosed
US-4216341-A Selective hydrogenation of certain nitroaromatic hydroxy substituted acetylenes over a heterogeneous RuS2 catalyst GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-08-05 US disclosed
US-4139561-A RUTHENIUM HYDROGENATION CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-02-13 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 (3 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-20240350678-A1 SYSTEMS AND METHODS FOR GENERATION OF HYPERPOLARIZED MATERIALS GLS2, HNMT, FH TSHR 3363/4885CASP3 4408/4885SENP8 3839/4885
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 TSHR 1015/4885CASP3 4014/4885SENP8 3788/4885
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 TSHR 922/4885CASP3 3885/4885SENP8 4180/4885

“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.