SCHEMBL72162

SCHEMBL72162

[O]C(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP1A2 P05177 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNN4 O15554 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CES1 P23141 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41

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
Benzylic Acid SCHEMBL7066 0.81 CYP2C9 (0.74) CYP2C9CYP1A2HTTLMNAL3MBTL1
SCHEMBL9056652 0.81 CYP2C9 (0.54) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1680669 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9568239 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1681667 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL5705762 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL11049826 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9181980 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL20957595 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL868225 0.79 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321565-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2012-12-20 US claimed
US-20060002861-A1 Pharmaceutical compositions comprising 17alpha-furanylesters of 17beta-carbothiate androstanes with a muscarinic receptor antagonist GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2006-01-05 US claimed
EP-1471919-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LTD (GB) 2005-08-10 EP claimed
EP-1471919-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
WO-2003066063-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2020-03-17 US disclosed
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL SA (ES) 2019-06-20 US disclosed
US-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2018-07-31 US disclosed
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2017-11-09 US disclosed
US-9687478-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2017-06-27 US disclosed
US-RE46417-E1 Quinuclidine derivatives and their use as muscarinic M3 receptor ligands ALMIRALL, S.A. (ES) 2017-05-30 US disclosed
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2016-10-13 US disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
EP-1200431-B1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTORS LIGANDS ALMIRALL PRODESFARMA AG (CH) 2003-03-26 EP 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-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
EP-1200431-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS Almirall Prodesfarma, S.A. (ES) 2002-05-02 EP disclosed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 WO disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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 (8 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-10034867-B2 Quinuclidine derivatives and medicinal compositions containing the same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 CYP2C9 1053/4885CYP1A2 201/4885HTT 867/4885
US-20160296503-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO2, CHRM3 CYP2C9 1408/4885CYP1A2 356/4885HTT 825/4885
US-20190183867-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRNB1, ARRB1 CYP2C9 2304/4885CYP1A2 306/4885HTT 2828/4885
US-20030055080-A1 For manufacture of medicament for use in therapy of respiratory, urinary or gastrointestinal disease NR1H4, CHRM3, CHRM4 CYP2C9 810/4885CYP1A2 924/4885HTT 3427/4885
US-20060002861-A1 Pharmaceutical compositions comprising 17alpha-furanylesters of 17beta-carbothiate androstanes with a muscarinic receptor antagonist CYP17A1, HSD17B7, NR5A1 CYP2C9 254/4885CYP1A2 138/4885HTT 2863/4885
US-20120321565-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST CYP17A1, HSD17B7, NR5A1 CYP2C9 254/4885CYP1A2 138/4885HTT 2863/4885
US-20170319557-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, OPRD1 CYP2C9 1077/4885CYP1A2 218/4885HTT 1187/4885
US-10588895-B2 Quinuclidine derivatives and medicinal compositions containing the same CHRM3, QDPR, CHRM2 CYP2C9 1525/4885CYP1A2 181/4885HTT 2672/4885

“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.