SCHEMBL2237097

SCHEMBL2237097

BrCc1ccc(C2OCCO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL23703708 0.83 TDP1 (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL9451016 0.81 MEN1 (0.44) TSHRCCNB2CDK1CCNB1GSK3B
SCHEMBL15074365 0.80 MEN1 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL18672255 0.78 IDO1 (0.39) ALDH1A1CCNB2CDK1CCNB1GSK3B
SCHEMBL2202537 0.78 VHL (0.38) TSHRCCNB2CDK1CCNB1GSK3B
SCHEMBL16808779 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL1680897 0.78 HRH3 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL11941058 0.78 ALDH1A1 (0.43) ALDH1A1CCNB2CDK1CCNB1GSK3B
SCHEMBL7473813 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL8022584 0.76 ALDH1A1 (0.37) TRPA1ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 EP disclosed
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 EP disclosed
EP-3269741-B1 METHOD FOR MAKING A FUNCTIONALIZED ELASTOMER VIA ALLYLBORATION GOODYEAR TIRE & RUBBER (US) 2019-05-15 EP disclosed
EP-3269745-B1 FUNCTIONALIZED ELASTOMER VIA ALLYLBORATION GOODYEAR TIRE & RUBBER (US) 2019-04-03 EP disclosed
EP-3383867-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-10-10 EP disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 US disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 US disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 US disclosed
EP-3269745-A1 FUNCTIONALIZED ELASTOMER VIA ALLYLBORATION The Goodyear Tire & Rubber Company (US) 2018-01-17 EP disclosed
EP-3269741-A1 METHOD FOR MAKING A FUNCTIONALIZED ELASTOMER VIA ALLYLBORATION The Goodyear Tire & Rubber Company (US) 2018-01-17 EP disclosed
WO-2016050210-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
WO-2011092028-A1 NANOPARTICLES AND NANOINK LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-08-04 WO disclosed
WO-2011092028-A1 NANOPARTICLES AND NANOINK LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-08-04 WO disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-4447428-A BRONCHODILATOR, ANTICOAGULANTS GLAXO GROUP LIMITED (GB) 1984-05-08 US disclosed
US-4409213-A B-SIDE CHAIN ATTACHED THRU AMINO GROUP; BRONCHODILATORS, ANTICOAGUANT GLAXO GROUP LIMITED (GB) 1983-10-11 US disclosed
US-4265891-A PROSTAGLANDINS, BRONCHODILATORS, PLATELET AGGREGATION INHIBITORS GLAXO GROUP LIMITED (GB) 1981-05-05 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 (1 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TRPA1 3491/4885ALDH1A1 687/4885TSHR 4087/4885

“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.