SCHEMBL4220071

SCHEMBL4220071

COC(=O)C1(O)c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.45
CHRM3 P20309 6/20 0.44
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
ALOX5 P09917 4/20 0.44
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 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
SCHEMBL2596466 0.82 P2RX4 (0.45) P2RX4CHRM3CHRM2CHRM1ALOX5
SCHEMBL27661810 0.80 CHRM3 (0.52) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL3245527 0.79 THRB (0.59) CHRM3CHRM2CHRM1ALDH1A1MAPT
SCHEMBL29663083 0.79 THRB (0.59) CHRM3CHRM2CHRM1ALDH1A1MAPT
SCHEMBL11996613 0.78 P2RX4 (0.41) P2RX4ALOX5ALDH1A1MAPTITGA4
SCHEMBL4221762 0.78 P2RX4 (0.41) P2RX4CHRM3CHRM2CHRM1ALOX5
SCHEMBL4636623 0.77 THRB (0.41) P2RX4CHRM3CHRM2CHRM1ALOX5
SCHEMBL524491 0.77 THRB (0.61) P2RX4CHRM3CHRM2CHRM1ALOX5
SCHEMBL4223414 0.77 P2RX4 (0.41) P2RX4CHRM3CHRM2CHRM1ALOX5
Bromomethane SCHEMBL208816 0.76 THRB (0.55) P2RX4CHRM3CHRM2CHRM1ALOX5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 CN disclosed
WO-2010071582-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2010071581-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A B2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2009139710-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
US-20090155185-A1 MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC MEADE CHRISTOPHER JOHN MONTAGUE 2009-06-18 US disclosed
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 disclosed
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 disclosed
US-7405224-B2 Xanthenecarboxylates, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-07-29 US disclosed
CN-1291986-C Anticholinergic agents, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2006-12-27 CN disclosed
EP-1651224-A1 MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP disclosed
CN-1625556-A Anticholinergic agents, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2005-06-08 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090155185-A1 MEDICAMENTS FOR INHALATION COMPRISING AN ANTICHOLINERGIC AND A BETAMIMETIC ADRB2, CHRM3, ADRB1 P2RX4 2671/4885CHRM3 2/4885CHRM2 4/4885
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 P2RX4 3934/4885CHRM3 262/4885CHRM2 334/4885
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic ADRB2, CHRM3, ADRB1 P2RX4 2671/4885CHRM3 2/4885CHRM2 4/4885

“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.