SCHEMBL2075002

SCHEMBL2075002

O=C(O)C(O)(c1ccco1)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 2/20 0.41
PKM P14618 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.36

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
Bromomethane SCHEMBL6308629 0.94 MAPT (0.42) PTPN1MAPTCES2CES1POLB
SCHEMBL71405 0.88 CYP2C9 (0.48) PTPN1MAPTCES2CES1POLB
SCHEMBL27396838 0.83 PTPN1 (0.42) PTPN1MAPTCES2CES1POLB
SCHEMBL27465214 0.83 PTPN1 (0.42) PTPN1MAPTCES2CES1POLB
SCHEMBL71754 0.83 MAPT (0.42) PTPN1MAPTCES2CES1POLB
SCHEMBL4636478 0.81 GAA (0.37) MAPTPOLBKMT2ACYP2C9PKM
SCHEMBL11279510 0.80 CHRM3 (0.42) PTPN1MAPTCES2CES1POLB
SCHEMBL30230256 0.80 CES1 (0.44) PTPN1MAPTCES2CES1KMT2A
SCHEMBL73485 0.79 CHRM3 (0.41) PTPN1MAPTCES2CES1POLB
SCHEMBL8478567 0.78 PTPN1 (0.42) PTPN1MAPTCES2CES1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200431-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL PRODESFARMA AG (CH) 2003-03-26 EP claimed
CN-118000207-A Soluble composition and preparation method and application thereof 江苏山川科技有限公司 2024-05-10 CN disclosed
CN-116790411-A Camel milk source Leng Yi raw bacteria strain for producing GABA and application 新疆大学 2023-09-22 CN disclosed
CN-116349693-A Composition capable of enhancing lodging resistance and increasing yield of grain crops as well as preparation method and application thereof 王伟中 2023-06-30 CN disclosed
CN-115968286-A Heteroaryl compounds, their preparation and use 益方生物科技(上海)股份有限公司 2023-04-14 CN disclosed
CN-109844536-B Predicting response to PD-1 axis inhibitors 豪夫迈·罗氏有限公司 2023-04-14 CN disclosed
CN-109563155-B Antibodies, compositions and kits comprising the same, and methods of use thereof 北京伟德杰生物科技有限公司 2023-04-11 CN disclosed
CN-108883164-B Antibodies to TIGIT JN生物科学有限责任公司 2023-04-07 CN disclosed
CN-109689087-B Targeted mutant interferon-beta and uses thereof 奥里尼斯生物科学私人有限公司 2023-04-04 CN disclosed
CN-115894606-A RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
US-7232835-B2 3,6-Disubstituted azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-06-19 US disclosed
US-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-09-28 US disclosed
US-20060106056-A1 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL PRODESFARMA, S.A. (ES) 2006-05-18 US disclosed
EP-1572648-A1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-09-14 EP disclosed
US-20050038252-A1 New difurylglycolic acid esters processes for the preparation thereof as well as the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-17 US disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 WO disclosed
US-6750226-B2 FOR MANUFACTURE OF MEDICAMENT FOR USE IN THERAPY OF RESPIRATORY, URINARY OR GASTROINTESTINAL DISEASE ALMIRALL-PRODESFARMA, S.A. (ES) 2004-06-15 US disclosed
US-20030229227-A1 New difurylglycolic acid esters, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 US disclosed
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease ALMIRALL, S.A. (ES) 2003-03-20 US disclosed
US-5821256-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 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 (5 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-20060217432-A1 3,6-Disubstituted azabicyclo [3.1.0] hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 PTPN1 1192/4885MAPT 3672/4885CES2 1660/4885
US-20030229227-A1 New difurylglycolic acid esters, processes for the preparation thereof as well as the use thereof as pharmaceutical compositions GYS1, GUCY1B1, UGGT1 PTPN1 1889/4885MAPT 4240/4885CES2 1608/4885
US-20060106056-A1 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis CHRM3, CHRM4, CHRM2 PTPN1 908/4885MAPT 4395/4885CES2 2086/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 PTPN1 2070/4885MAPT 4470/4885CES2 2352/4885
US-20050038252-A1 New difurylglycolic acid esters processes for the preparation thereof as well as the use thereof as pharmaceutical compositions GYS1, GRHPR, GUCY1B1 PTPN1 1746/4885MAPT 4164/4885CES2 1448/4885

“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.