SCHEMBL156372

SCHEMBL156372

[O]C(=O)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.68
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
USP2 O75604 1/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL27456766 0.84 ATM (0.70) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL9751264 0.83 ATM (0.63) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL30011680 0.83 ATM (0.68) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL40617 0.83 ATM (0.68) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL1128337 0.81 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29857778 0.81 ATM (1.00) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL9551091 0.81 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL4777998 0.81 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL5780275 0.81 ATM (0.66) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL1552414 0.81 ATM (1.00) ATMHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO 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-4451473-A 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-05-29 US claimed
US-20180200234-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ALMIRALL, S.A. (ES) 2018-07-19 US disclosed
US-20170049756-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS GRAS ESCARDO JORDI (ES) 2017-02-23 US disclosed
US-20160038470-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND CORTICOSTEROIDS GRAS ESCARDO JORDI (ES) 2016-02-11 US disclosed
US-20150306079-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS GRAS ESCARDO JORDI (ES) 2015-10-29 US disclosed
US-20150202213-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND CORTICOSTEROIDS GRAS ESCARDO JORDI (ES) 2015-07-23 US disclosed
US-20150080359-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS GRAS ESCARDO JORDI (ES) 2015-03-19 US disclosed
WO-2005115467-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115466-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND CORTICOSTEROIDS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
US-20050267135-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors ESCARDO JORDI G 2005-12-01 US disclosed
US-20050267078-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists GRAS ESCARDO JORDI 2005-12-01 US disclosed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO disclosed
US-4451473-A 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-05-29 US disclosed
US-4451473-A 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-05-29 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 (9 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 ATM 4136/4885HDAC3 1372/4885HDAC4 1486/4885
US-20150202213-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND CORTICOSTEROIDS CHRM3, CHRM2, CHRM1 ATM 3865/4885HDAC3 581/4885HDAC4 1092/4885
US-20150080359-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS CHRM3, PDE4A, CHRM4 ATM 3607/4885HDAC3 517/4885HDAC4 96/4885
US-20170049756-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS CHRM3, PDE4A, CHRM4 ATM 3607/4885HDAC3 517/4885HDAC4 96/4885
US-20180200234-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ADRB2, ADRB3, CHRM3 ATM 3887/4885HDAC3 1256/4885HDAC4 2068/4885
US-20050267135-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors CHRM3, PDE4A, CHRM4 ATM 3607/4885HDAC3 517/4885HDAC4 96/4885
US-20050267078-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists ADRB2, ADRB3, CHRM3 ATM 3887/4885HDAC3 1256/4885HDAC4 2068/4885
US-20150306079-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS CHRM3, PDE4A, CHRM4 ATM 4098/4885HDAC3 455/4885HDAC4 92/4885
US-20160038470-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND CORTICOSTEROIDS CHRM3, CHRM2, CHRM1 ATM 3865/4885HDAC3 581/4885HDAC4 1092/4885

“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.