SCHEMBL1041018

SCHEMBL1041018

COC(=O)CCc1ccc(OCC2CO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 3/20 0.45
NPC1 O15118 1/20 0.45
F2RL1 P55085 1/20 0.44

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
SCHEMBL8437625 1.00 PKM (0.50) PKMADRB2ADRB1TP53MAPT
SCHEMBL13654852 1.00 PKM (0.50) PKMADRB2ADRB1TP53MAPT
SCHEMBL11025742 0.88 MGLL (0.48) PKMTP53MAPTHPGDTSHR
SCHEMBL32685172 0.87 MGLL (0.52) PKMTP53MAPTHPGDTSHR
SCHEMBL8537272 0.86 CYP4F2 (0.55) PKMTP53MAPTHPGDTSHR
SCHEMBL9628772 0.86 PKM (0.52) PKMTP53MAPTHPGDTSHR
SCHEMBL6016764 0.86 PKM (0.52) PKMTP53MAPTHPGDTSHR
SCHEMBL11021516 0.85 ALDH1A1 (0.46) PKMADRB2ADRB1TP53MAPT
SCHEMBL32685184 0.85 MGLL (0.50) PKMTP53MAPTHPGDTSHR
SCHEMBL10840789 0.84 LMNA (0.53) PKMTP53MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651706-A Preparation process of high-purity esmolol hydrochloride 湖州展望药业有限公司 2021-11-16 CN claimed
CN-119613359-A Preparation of esmolol hydrochloride key intermediate 广东京豪生物制药有限公司 2025-03-14 CN disclosed
CN-119613358-A Preparation process of esmolol hydrochloride 广东京豪生物制药有限公司 2025-03-14 CN disclosed
CN-113651706-A Preparation process of high-purity esmolol hydrochloride 湖州展望药业有限公司 2021-11-16 CN disclosed
CN-113651706-A Preparation process of high-purity esmolol hydrochloride 湖州展望药业有限公司 2021-11-16 CN disclosed
US-20210154202-A1 SYNTHESIS OF DENTIMOL, AN ANTIGLAUCOMA DRUG VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-27 US disclosed
US-20130302245-A1 IMAGE-GUIDED THERAPY OF MYOCARDIAL DISEASE: COMPOSITION, MANUFACTURING AND APPLICATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-11-14 US disclosed
US-20130302245-A1 IMAGE-GUIDED THERAPY OF MYOCARDIAL DISEASE: COMPOSITION, MANUFACTURING AND APPLICATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-11-14 US disclosed
US-20130302245-A1 IMAGE-GUIDED THERAPY OF MYOCARDIAL DISEASE: COMPOSITION, MANUFACTURING AND APPLICATIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-11-14 US disclosed
US-8440168-B2 Image-guided therapy of myocardial disease: composition, manufacturing and applications THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-14 US disclosed
US-4387103-A SHORT ACTING BETA BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1983-06-07 US disclosed
WO-1983001772-A1 ESTERS OF ARYLOXYPROPANOLAMINE DERIVATIVES AND USE AS 'beta'-ADRENERGIC BLOCKING AGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed
EP-0065542-A4 COMPOUNDS SUITABLE FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-25 EP disclosed
EP-0065963-A4 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-04-25 EP disclosed
EP-0065963-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-08 EP disclosed
EP-0065542-A1 COMPOUNDS SUITABLE FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS. AMERICAN HOSPITAL SUPPLY CORP (US) 1982-12-01 EP disclosed
WO-1982001870-A1 COMPOUNDS AND METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORP (US) 1982-06-10 WO disclosed
WO-1982001869-A1 METHOD FOR TREATMENT OR PROPHYLAXIS OF CARDIAC DISORDERS AMERICAN HOSPITAL SUPPLY CORP (US) 1982-06-10 WO disclosed
EP-0053435-A1 Compounds suitable for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 EP disclosed
EP-0053434-A1 Compounds and method for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1982-06-09 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-20130302245-A1 IMAGE-GUIDED THERAPY OF MYOCARDIAL DISEASE: COMPOSITION, MANUFACTURING AND APPLICATIONS ADRB1, ADRB3, ADRB2 PKM 2292/4885ADRB2 3/4885ADRB1 1/4885
US-20210154202-A1 SYNTHESIS OF DENTIMOL, AN ANTIGLAUCOMA DRUG PTGIR, PTGIS, DNM1L PKM 719/4885ADRB2 22/4885ADRB1 31/4885

“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.