SCHEMBL4667082

SCHEMBL4667082

CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.58
ADRB1 P08588 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
PMP22 Q01453 1/20 0.53
CCR5 P51681 1/20 0.47
LMNA P02545 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
SCHEMBL29496355 1.00 ADRB2 (0.58) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL12158808 1.00 ADRB2 (0.58) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL12158787 1.00 ADRB2 (0.58) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14301399 0.92 ADRB2 (0.55) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14300964 0.92 ADRB2 (0.55) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL11747826 0.91 ADRB2 (0.59) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL15178271 0.87 ADRB2 (0.47) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL15178277 0.87 ADRB2 (0.47) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL15178269 0.85 ADRB2 (0.47) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL15178341 0.85 ADRB2 (0.47) ADRB2ADRB1CYP1A2CYP2D6TSHR

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
EP-0763010-B1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 2000-08-30 EP claimed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP claimed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP claimed
US-5545745-A DISSOLVING MIXTURE OF METHYL-5(2-(1,1-DIMETHYLETHYL)AMINO)-1-HYROXYETHYL)-2-(PHENYL -METHOXY)BENZOATE AND A CHIRAL ACID, SALT FORMATION, COOLING, NEUTRALIZING SALT WITH BASE, REDUCTION, DEBENZYLATION SEPRACOR, INC. (US) 1996-08-13 US claimed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO claimed
WO-2023062633-A1 PROCESS FOR THE PREPARATION OF A SALBUTAMOL INTERMEDIATE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-04-20 WO disclosed
US-RE43984-E1 Process for preparing isomers of salbutamol CIPLA LIMITED (IN) 2013-02-05 US disclosed
US-RE43844-E1 Process for preparing isomers of salbutamol CIPLA LIMITED (IN) 2012-12-04 US disclosed
US-8063251-B2 Process for the preparation of optically pure R (−) salbutamol and its pharmaceutically acceptable salts AARTI HEALTHCARE LIMITED (IN) 2011-11-22 US disclosed
US-8063251-B2 Process for the preparation of optically pure R (−) salbutamol and its pharmaceutically acceptable salts AARTI HEALTHCARE LIMITED (IN) 2011-11-22 US disclosed
US-20100204516-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS AARTI HEALTHCARE LIMITED (IN) 2010-08-12 US disclosed
US-20100204516-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS AARTI HEALTHCARE LIMITED (IN) 2010-08-12 US disclosed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP disclosed
EP-0745068-A4 HETEROARYL-SUBSTITUTED DEOXY GLYCERO-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS INC (US) 1997-02-26 EP disclosed
EP-0745068-A1 HETEROARYL-SUBSTITUTED DEOXY GLYCERO-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS, INC. (US) 1996-12-04 EP disclosed
US-5545745-A DISSOLVING MIXTURE OF METHYL-5(2-(1,1-DIMETHYLETHYL)AMINO)-1-HYROXYETHYL)-2-(PHENYL -METHOXY)BENZOATE AND A CHIRAL ACID, SALT FORMATION, COOLING, NEUTRALIZING SALT WITH BASE, REDUCTION, DEBENZYLATION SEPRACOR, INC. (US) 1996-08-13 US disclosed
US-5545745-A DISSOLVING MIXTURE OF METHYL-5(2-(1,1-DIMETHYLETHYL)AMINO)-1-HYROXYETHYL)-2-(PHENYL -METHOXY)BENZOATE AND A CHIRAL ACID, SALT FORMATION, COOLING, NEUTRALIZING SALT WITH BASE, REDUCTION, DEBENZYLATION SEPRACOR, INC. (US) 1996-08-13 US disclosed
WO-1996016041-A1 HETEROARYL-SUBSTITUTED DEOXY GLYCERO-PHOSPHOETHANOLAMINES CLARION PHARMACEUTICALS INC. (US) 1996-05-30 WO disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO 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-20100204516-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS FFAR4, ADRB1, NR1H4 ADRB2 12/4885ADRB1 2/4885CYP1A2 240/4885

“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.