SCHEMBL9004334

SCHEMBL9004334

CC(C)(O)C1COCCO1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL5323324 0.81
SCHEMBL990066 0.81
SCHEMBL9868926 0.79 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM3
SCHEMBL17264874 0.79 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM3
SCHEMBL17264875 0.79 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM3
SCHEMBL8281881 0.77 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM3
SCHEMBL8281878 0.77 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM3
SCHEMBL8281880 0.77 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM3
SCHEMBL30896282 0.75 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM3
SCHEMBL27431188 0.75 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2021-06-24 US claimed
EP-3808745-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-04-21 EP claimed
WO-2015058141-A1 NUCLEOBASE-CONTAINING MONOMERS AND COPOLYMERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-04-23 WO claimed
CN-111819178-B Crystal form of pyrazolo heteroaryl derivative hydrochloride and preparation method thereof 江苏恒瑞医药股份有限公司 2022-04-12 CN disclosed
US-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2021-06-24 US disclosed
EP-3808745-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-04-21 EP disclosed
CN-111819178-A Crystal form of pyrazolo heteroaryl derivative hydrochloride and preparation method thereof 江苏恒瑞医药股份有限公司 2020-10-23 CN disclosed
EP-0733038-A1 BLEACH ACTIVATOR PREPARATION SOLVAY INTEROX LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015942-A1 BLEACH ACTIVATOR PREPARATION SOLVAY INTEROX LIMITED (GB) 1995-06-15 WO disclosed
US-4006141-A MICROBIOCIDE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-02-01 US disclosed
US-3989832-A Combating bacteria with nitroimidazolyl-triazolo-pyridiazine compounds BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-11-02 US disclosed
US-3962242-A BACTERIOSTATS, URINARY TRACT INFECTIONS BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-06-08 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-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD CYP2F1, CYP7A1, CYP11B2 CHRM2 2074/4885CHRM4 2774/4885CHRM5 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.