SCHEMBL11288904

SCHEMBL11288904

CC(=O)Oc1cc(OC(C)=O)cc(C(O)CNC(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.72
LMNA P02545 3/20 0.72
ADRB2 P07550 3/20 0.72
CYP2D6 P10635 2/20 0.72
ACHE P22303 2/20 0.72
KCNH2 Q12809 1/20 0.72
CYP2C19 P33261 1/20 0.72
CASP7 P55210 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
BLM P54132 1/20 0.52
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50

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
Bromide SCHEMBL11704943 0.98 BCHE (0.71) BCHELMNAADRB2CYP2D6ACHE
Hydrochloric Acid SCHEMBL16553266 0.98 BCHE (0.71) BCHELMNAADRB2CYP2D6ACHE
Acetic Acid SCHEMBL20972995 0.97 BCHE (0.69) BCHELMNAADRB2CYP2D6ACHE
Acetic Acid SCHEMBL15392655 0.96 BCHE (0.67) BCHELMNAADRB2CYP2D6ACHE
Ibuterol SCHEMBL118615 0.88 BCHE (0.69) BCHELMNAADRB2CYP2D6ACHE
Ibuterol SCHEMBL11702776 0.87 BCHE (0.67) BCHELMNAADRB2CYP2D6ACHE
Divabuterol SCHEMBL2109920 0.87 BCHE (0.71) BCHELMNAADRB2CYP2D6ACHE
SCHEMBL10614363 0.86 CYP2D6 (0.55) BCHELMNAADRB2CYP2D6ACHE
Divabuterol SCHEMBL11702548 0.85 BCHE (0.69) BCHELMNAADRB2CYP2D6ACHE
Bambuterol SCHEMBL4432 0.84 BCHE (1.00) BCHELMNAADRB2CYP2D6ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142818-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD 2019-05-16 US claimed
CN-111499528-B Terbutaline sulfate intermediate, preparation method thereof and method for preparing terbutaline sulfate by using terbutaline sulfate intermediate 成都瑞特恩科技有限公司 2023-06-20 CN disclosed
CN-111499528-A Terbutaline sulfate intermediate, preparation method thereof and method for preparing terbutaline sulfate by using terbutaline sulfate intermediate 成都瑞特恩科技有限公司 2020-08-07 CN disclosed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed
US-4011258-A ETHANOLAMINES AKTIEBOLAGET DRACO (SW) 1977-03-08 US disclosed
US-3937838-A BRONCHODILATORS, DIHYDROXYPHENYL ETHANOLAMINES AKTIEBOLAGET DRACO (SW) 1976-02-10 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-20190142818-A1 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOISITON THEREOF FOR TREATMENT OF PULMONARY CONDITIONS CPA3, HCAR2, HRH4 BCHE 317/4885LMNA 2722/4885ADRB2 1823/4885

“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.