SCHEMBL3553222

SCHEMBL3553222

O=C(O)C(=O)c1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CPT1B Q92523 1/20 0.44
TRPA1 O75762 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
CYP3A4 P08684 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42
PTPN1 P18031 2/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
RECQL P46063 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL142183 0.80
SCHEMBL9375936 0.79 TRPA1 (0.43) MAPTTRPA1KCNK3KCNK9CYP3A4
SCHEMBL30466241 0.79 TRPA1 (0.43) MAPTTRPA1KCNK3KCNK9CYP3A4
Hydrochloric Acid SCHEMBL4253131 0.78
SCHEMBL27536645 0.78
SCHEMBL564791 0.77 MAPT (0.44) MAPTTRPA1KCNK3KCNK9CYP3A4
SCHEMBL8866037 0.77 TRPA1 (0.48) MAPTTRPA1KCNK3KCNK9CYP3A4
Formaldehyde SCHEMBL27533174 0.76 MAPT (0.47) MAPTTRPA1KCNK3KCNK9CYP3A4
SCHEMBL11527326 0.76 MAPT (0.46) MAPTTRPA1KCNK3KCNK9CYP3A4
Hydrochloric Acid SCHEMBL9261456 0.76 MAPT (0.43) MAPTTRPA1KCNK3KCNK9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
US-RE39820-E1 As anticholinergics, administered by inhalation, they are useful for the treatment of chronic obstructive bronchitis or slight to moderately severe asthma; administered by the intravenous or oral routes, they are useful for the treatment of vagally induced sinus bradycardia BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-04 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-5654314-A RESPIRATORY SYSTEM DISORDERS BOEHRINGER INGELHEIM KG (DE) 1997-08-05 US disclosed
US-5610163-A ANTICHOLINERGIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1997-03-11 US disclosed
EP-0418716-B1 Thienylcarboxylic acid ester of aminoalcohols, their quaternary products, their preparation and use of the compounds BOEHRINGER INGELHEIM KG (DE) 1994-04-06 EP disclosed
EP-0579615-A1 NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1994-01-26 EP disclosed
WO-1992016528-A1 NEW BI- AND TRICYCLIC AMINOALCOHOL ESTERS, THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 1992-10-01 WO disclosed
WO-1991004252-A1 NEW ESTERS OF THIENYL CARBOXYLIC ACIDS AND AMINO ALCOHOLS, THEIR QUATERNIZATION PRODUCTS, AND MANUFACTURE AND USE OF SAID COMPOUNDS BOEHRINGER INGELHEIM KG (DE) 1991-04-04 WO disclosed
EP-0418716-A1 Thienylcarboxylic acid ester of aminoalcohols, their quaternary products, their preparation and use of the compounds BOEHRINGER INGELHEIM KG (DE) 1991-03-27 EP disclosed
US-4871864-A Carbamoyloxythiophene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
US-4839381-A FUNGICIDES, PESTICIDES; RICE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 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 (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-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R MAPT 3027/4885CPT1B 1354/4885TRPA1 3324/4885
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 MAPT 844/4885CPT1B 3356/4885TRPA1 2234/4885

“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.