SCHEMBL524491

SCHEMBL524491

O=C(O)C1(O)c2ccccc2Oc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALOX5 P09917 4/20 0.42
CHRM3 P20309 5/20 0.40
CHRM2 P08172 4/20 0.40
CHRM1 P11229 4/20 0.40
P2RX4 Q99571 2/20 0.39
CYP2C9 P11712 2/20 0.38
AKR1B1 P15121 1/20 0.37
ATM Q13315 1/20 0.37
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C1 Q04828 1/20 0.35

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
Bromide SCHEMBL27764709 0.98 THRB (0.59) THRBTDP1ALOX5CHRM3CHRM2
Bromomethane SCHEMBL208816 0.94 THRB (0.55) THRBTDP1ALOX5CHRM3CHRM2
Propanol SCHEMBL28790315 0.87 THRB (0.47) THRBTDP1ALOX5CHRM3CHRM2
SCHEMBL4636623 0.83 THRB (0.41) THRBTDP1ALOX5CHRM3CHRM2
SCHEMBL14973506 0.82 TDP1 (0.77) THRBTDP1CYP2C19AKR1C1
SCHEMBL8019194 0.81 ALOX5 (0.43) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL8724975 0.78 ALOX5 (0.41) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL523847 0.78 ALOX5 (0.41) THRBTDP1ALOX5CHRM3CHRM2
SCHEMBL27621788 0.78 ALOX5 (0.41) THRBTDP1ALOX5CHRM3P2RX4
SCHEMBL4220071 0.77 P2RX4 (0.45) THRBTDP1ALOX5CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149110-A1 BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 WO claimed
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO 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-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
US-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ANOVENT PHARMACEUTICAL (U.S.), LLC (US) 2022-06-28 US disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
EP-1651224-A1 MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP disclosed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO disclosed
WO-2005013994-A1 MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
US-20030203928-A1 Xanthenecarboxylates, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-10-30 US disclosed
CN-1060168-C Xanthene derivant TOXIEOLOGICAL MATERIA MEDICA I (CN) 2001-01-03 CN disclosed
CN-1098413-A New xanthene derivative TOXICOLOGICAL MATERIA MEDICA I (CN) 1995-02-08 CN 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 (7 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 THRB 4152/4885TDP1 1963/4885ALOX5 1320/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885ALOX5 1906/4885
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ADRB2, ADRB1, ADRA2B THRB 1226/4885TDP1 4836/4885ALOX5 2009/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885ALOX5 1906/4885
US-20030203928-A1 Xanthenecarboxylates, processes for preparing them, and their use as pharmaceutical compositions H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F11, NR3C2 THRB 3210/4885TDP1 2982/4885ALOX5 2833/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885ALOX5 1906/4885
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic ADRB2, CHRM3, ADRB1 THRB 804/4885TDP1 3302/4885ALOX5 1020/4885

“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.