SCHEMBL434338

SCHEMBL434338

CCC1Cc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
AOC2 O75106 5/20 0.41
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
DAO P14920 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 2/20 0.40
DRD2 P14416 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
CA2 P00918 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
Methylene Chloride SCHEMBL11335086 0.94 HRH3 (0.46) HRH3AOC2MAOAMAOBDAO
Bicarbonate SCHEMBL8124381 0.91 GPBAR1 (0.44) HRH3AOC2MAOAMAOBDAO
Bicarbonate SCHEMBL8116427 0.91 GPBAR1 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL13638405 0.85 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL10366459 0.82 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL6051185 0.81 CA2 (0.55) CA2
SCHEMBL27574307 0.81 HRH3 (0.37) HRH3AOC2MAOAMAOBDAO
SCHEMBL14271049 0.81 CA2 (0.55) CA2
SCHEMBL2059453 0.80 GRM2 (0.44) HRH3
SCHEMBL6723015 0.80 HRH3 (0.53) HRH3AOC2MAOAMAOBDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717886-B2 Ink composition, method for producing organic semiconductor element, organic semiconductor device, and method for producing optical element SEIKO EPSON CORPORATION (JP) 2020-07-21 US claimed
US-20180030296-A1 INK COMPOSITION, METHOD FOR PRODUCING ORGANIC SEMICONDUCTOR ELEMENT, ORGANIC SEMICONDUCTOR DEVICE, AND METHOD FOR PRODUCING OPTICAL ELEMENT SEIKO EPSON CORPORATION (JP) 2018-02-01 US claimed
EP-1891034-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2008-02-27 EP claimed
EP-1877393-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2008-01-16 EP claimed
US-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-30 US claimed
US-20070197631-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-23 US claimed
WO-2007076157-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE TEVA PHARMACEUTICALS INDUSTRIES LTD. (IL) 2007-07-05 WO claimed
WO-2007076158-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-05 WO claimed
EP-0824531-A1 METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN PIERRE FABRE MEDICAMENT (FR) 1998-02-25 EP claimed
WO-1996035682-A1 METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN PIERRE FABRE MEDICAMENT (FR) 1996-11-14 WO claimed
EP-0008752-B1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-2-ETHYL-BENZOFURAN-5-ACETIC ACID ALFA FARMACEUTICI S.p.A. (IT) 1981-08-12 EP claimed
EP-0008752-A1 Process for the preparation of 2,3-dihydro-2-ethyl-benzofuran-5-acetic acid ALFA FARMACEUTICI S.p.A. (IT) 1980-03-19 EP claimed
US-20260080976-A1 SYSTEM AND METHODS FOR GENERATION OF FRAGMENT MODULE LIBRARIES FOR LEAD OPTIMIZATION OF PHARMACEUTICALLY ACTIVE MOLECULES PURDUE RESEARCH FOUNDATION (US) 2026-03-19 US disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 WO disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
US-10717886-B2 Ink composition, method for producing organic semiconductor element, organic semiconductor device, and method for producing optical element SEIKO EPSON CORPORATION (JP) 2020-07-21 US disclosed
US-4341792-A ANTIDIABETIC AND CARDIOTONIC AGENTS PFIZER INC. (US) 1982-07-27 US disclosed
EP-0008752-B1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-2-ETHYL-BENZOFURAN-5-ACETIC ACID ALFA FARMACEUTICI S.p.A. (IT) 1981-08-12 EP disclosed
EP-0008752-A1 Process for the preparation of 2,3-dihydro-2-ethyl-benzofuran-5-acetic acid ALFA FARMACEUTICI S.p.A. (IT) 1980-03-19 EP disclosed
EP-0008752-A1 Process for the preparation of 2,3-dihydro-2-ethyl-benzofuran-5-acetic acid ALFA FARMACEUTICI S.p.A. (IT) 1980-03-19 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 (3 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-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence CHRNE, CHRM3, CHRM2 HRH3 73/4885AOC2 927/4885MAOA 697/4885
US-20260080976-A1 SYSTEM AND METHODS FOR GENERATION OF FRAGMENT MODULE LIBRARIES FOR LEAD OPTIMIZATION OF PHARMACEUTICALLY ACTIVE MOLECULES BACE2, ADAM33, SET HRH3 3103/4885AOC2 4783/4885MAOA 435/4885
US-20070197631-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B HRH3 140/4885AOC2 2914/4885MAOA 2038/4885

“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.