SCHEMBL436302

SCHEMBL436302

C(=Cc1ccccc1)CC1CO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
GSTP1 P09211 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MGLL Q99685 1/20 0.41
HTR2A P28223 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL9137944 0.86 ALDH1A1 (0.46) ALDH1A1MAPTGSTP1POLBHPGD
SCHEMBL4575590 0.85 MAOB (0.48) ALDH1A1MAPTGSTP1IDO1PAM
Methacrylic Acid SCHEMBL28973688 0.84 PAM (0.42) ALDH1A1MAPTGSTP1POLBHPGD
SCHEMBL4478034 0.81 SIGMAR1 (0.45) ALDH1A1IDO1PAMMEN1KMT2A
SCHEMBL4478027 0.81 SIGMAR1 (0.45) ALDH1A1IDO1PAMMEN1KMT2A
SCHEMBL4478424 0.81 SIGMAR1 (0.45) ALDH1A1IDO1PAMMEN1KMT2A
SCHEMBL8555571 0.79 TDP1 (0.44) ALDH1A1MEN1KMT2ATDP1MGLL
SCHEMBL4334438 0.79 TBXAS1 (0.43) ALDH1A1MAPTHPGDKMT2AMGLL
SCHEMBL4452279 0.79 ALDH1A1 (0.59) ALDH1A1MAPTGSTP1HPGDMEN1
SCHEMBL1704962 0.77 SIGMAR1 (0.52) ALDH1A1IDO1TDP1MGLLHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012050437-A2 PRODUCTION OF SODIUM BICARBONATE FROM A BASIC PROCESS STREAM TECHNISCHE UNIVERSITEIT DELFT (NL) 2012-04-19 WO claimed
EP-1790643-B1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, IT'S PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYCHOLINE ZHAO SHUQIANG (CN) 2010-06-02 EP claimed
US-7521559-B2 Quinuclidine compounds having quaternary ammonium group, its preparation method and use as blocking agents of acetylcholine Zhao, Shuqiang (CN) 2009-04-21 US claimed
US-20080247963-A1 Quinuclidine Compounds Having Quaternary Ammonium Group, Its Preparation Method and Use as Blocking Agents of Acetylcholine Zhao, Shuqiang (CN) 2008-10-09 US claimed
EP-1790643-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, IT'S PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYCHOLINE Zhao, Shuqiang (CN) 2007-05-30 EP claimed
CN-118162072-A Recycling ethylbenzene liquid alkali washing and water washing device of ethylbenzene oxidation system 中石化南京工程有限公司 2024-06-11 CN disclosed
CN-113511950-B Method for efficiently recycling styrene in styrene tar 中国石油化工股份有限公司 2024-05-28 CN disclosed
CN-117920289-A Dehydrogenation catalyst, preparation method and application thereof and preparation method of alkenyl benzene 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117700003-A Device and method for treating waste alkali liquid of POSM (Power over Module) device 中石化南京工程有限公司 2024-03-15 CN disclosed
CN-112047799-B Continuous production system of styrene 利华益利津炼化有限公司 2023-07-11 CN disclosed
CN-116023225-A Method for removing thiophenic sulfur in styrene by catalytic alkylation 天津科技大学 2023-04-28 CN disclosed
CN-112723980-B Method for producing styrene by ethylbenzene oxidative dehydrogenation 中国石油化工股份有限公司 2023-04-07 CN disclosed
WO-2001052982-A1 CATALYST SUPPORT MATERIAL AND USE THEREOF SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-07-26 WO disclosed
WO-2001012617-A1 PROCESS FOR PREPARING ALKYLENE OXIDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-02-22 WO disclosed
EP-1068011-A1 PROCESS FOR ACTIVATING AN EPOXIDATION CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-01-17 EP disclosed
WO-1999049972-A1 PROCESS FOR ACTIVATING AN EPOXIDATION CATALYST SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1999-10-07 WO disclosed
US-5558778-A Process for the treatment of a wastewater SHELL OIL COMPANY (US) 1996-09-24 US disclosed
US-5558778-A Process for the treatment of a wastewater SHELL OIL COMPANY (US) 1996-09-24 US disclosed
US-4657939-A Triols from bicyclic amide acetals and cyanuric acid and polyurethanes therefrom ASHLAND OIL, INC. (US) 1987-04-14 US disclosed
US-4617391-A Triols from bicyclic amide acetals ASHLAND OIL, INC. (US) 1986-10-14 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-20080247963-A1 Quinuclidine Compounds Having Quaternary Ammonium Group, Its Preparation Method and Use as Blocking Agents of Acetylcholine CHRM1, CHRNA1, CHRM2 ALDH1A1 1639/4885MAPT 2775/4885GSTP1 2651/4885

“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.