SCHEMBL76044

SCHEMBL76044

O=CCOCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALOX5 P09917 1/20 0.41
CA7 P43166 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 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
SCHEMBL30425720 1.00 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL22160794 0.98 TSHR (0.58) TSHRIDO1AGXTALDH1A1CA1
Methylene Chloride SCHEMBL29153178 0.94 TSHR (0.54) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL2281945 0.90 TSHR (0.54) TSHRIDO1AGXTALDH1A1CCNB2
SCHEMBL20216100 0.88 TSHR (0.52) TSHRIDO1ALDH1A1CCNB2CDK1
SCHEMBL27172833 0.88 TSHR (0.52) TSHRIDO1ALDH1A1CCNB2CDK1
SCHEMBL7924975 0.86 TSHR (0.45) TSHRALDH1A1CA1CA2CA9
Acetic Acid SCHEMBL12274807 0.86 ALDH1A1 (0.49) TSHRALDH1A1MAOBALOX5MAPK1
SCHEMBL30378670 0.85 L3MBTL1 (0.50) TSHRL3MBTL1KMT2ATDP1
SCHEMBL7760105 0.84 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1

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 1705 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234384-B2 Adhesion-improving composition for textile material and associated reinforcing textile material PORCHER INDUSTRIES (FR) 2025-02-25 US claimed
CN-116217480-A 1,2,3, 4-tetrahydroisoquinoline compound and preparation method and application thereof 南京工业大学 2023-06-06 CN claimed
CN-114933620-A Azithromycin derivatives having epithelial barrier enhancing properties 艾比恩多制药有限责任公司 2022-08-23 CN claimed
CN-112135862-B Composition for improving the adhesion of textile materials and related reinforced textile materials 博舍工业公司 2022-06-03 CN claimed
US-20220106349-A1 Compounds EPIENDO PHARMACEUTICALS EHF (IS) 2022-04-07 US claimed
US-11236120-B2 Azithromycin derivatives with epithelial barrier enhancement properties EPIENDO PHARMACEUTICALS EHF (IS) 2022-02-01 US claimed
US-20210115310-A1 ADHESION-IMPROVING COMPOSITION FOR TEXTILE MATERIAL AND ASSOCIATED REINFORCING TEXTILE MATERIAL PORCHER INDUSTRIES (FR) 2021-04-22 US claimed
EP-3784719-A1 ADHERENCE-IMPROVING COMPOSITION FOR TEXTILE MATERIAL AND ASSOCIATED REINFORCING TEXTILE MATERIAL Porcher Industries (FR) 2021-03-03 EP claimed
CN-112135862-A Composition for improving the adhesion of textile materials and related reinforced textile materials 博舍工业公司 2020-12-25 CN claimed
US-20200317710-A1 Azithromycin Derivatives With Epithelial Barrier Enhancement Properties EPIENDO PHARMACEUTICALS EHF (IS) 2020-10-08 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
US-6624331-B1 Oxidization of 2-benzyloxyethanol using hypochlorous acid in the presence of nitroxy compounds such as 2,2,6,6- tetramethyl piperidinyl-1-oxy, to form chemical intermediates such as benzyloxyacetaldehyde KURARAY CO., LTD. (JP) 2003-09-23 US claimed
CN-1118464-C Noval pyrimidine derivatives and process and preparing thereof YUHAN CORP (KR) 2003-08-20 CN claimed
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US claimed
EP-1170276-A1 PROCESS FOR THE PREPARATION OF BENZYLOXYACETALDEHYDE KURARAY CO., LTD. (JP) 2002-01-09 EP claimed
WO-2001002333-A1 PROCESS FOR PREPARING BENZYLOXYACETALDEHYDE COMPOUNDS SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-01-11 WO claimed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP claimed
CN-1251586-A Noval pyrimidine derivatives and process and preparing thereof YUHAN CORP (KR) 2000-04-26 CN claimed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US claimed
EP-0089487-B1 NOVEL N,N'-BIS(TRIFLUOROMETHYLSULFONYL)OXAMIDES AND CHEMILUMINESCENT COMPOSITIONS CONTAINING THE SAME AMERICAN CYANAMID COMPANY (US) 1987-06-16 EP claimed

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-20220106349-A1 Compounds CFTR, AQP1, CTSA TSHR 4630/4885IDO1 2095/4885AGXT 3175/4885
US-11236120-B2 Azithromycin derivatives with epithelial barrier enhancement properties CFTR, AQP1, CTSA TSHR 4168/4885IDO1 2078/4885AGXT 3305/4885
US-20200317710-A1 Azithromycin Derivatives With Epithelial Barrier Enhancement Properties CFTR, AQP1, CTSA TSHR 4168/4885IDO1 2078/4885AGXT 3305/4885

“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.