SCHEMBL536176

SCHEMBL536176

N#Cc1ccccc1CCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL30129807 1.00 FFAR1 (0.44) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL451478 0.88 CYP19A1 (0.41) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL2154210 0.86 SMN1; SMN2 (0.49) FFAR1CYP19A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7396264 0.84 CYP19A1 (0.39) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL28248935 0.82 CYP19A1 (0.46) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL28248440 0.82 CYP19A1 (0.46) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL30496165 0.82 ALDH1A1 (0.49) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL483697 0.82 ALDH1A1 (0.49) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL29278135 0.80 NOTUM (0.35) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2
SCHEMBL84271 0.80 PLAU (0.35) FFAR1CYP19A1ESR2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816964-B Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof 中国科学院兰州化学物理研究所 2023-02-10 CN claimed
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN claimed
CN-105330565-A Novel method for catalytically synthesizing cyanobenzene derivative through copper UNIV HANGZHOU NORMAL 2016-02-17 CN claimed
CN-105039447-A Method for producing (S)-benzonitrile ethanol through candida UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-11 CN claimed
CN-113816964-B Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof 中国科学院兰州化学物理研究所 2023-02-10 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
CN-113816964-A Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof 中国科学院兰州化学物理研究所 2021-12-21 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
WO-2005090286-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 WO disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
WO-2002022584-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-03-21 WO disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 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 (1 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-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 FFAR1 3941/4885CYP19A1 454/4885ESR2 3397/4885

“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.