Sugi Predict

Sugi Predict / Compounds / SCHEMBL2155273

SCHEMBL2155273

SCHEMBL2155273

C#CC(O)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CASR P41180 3/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL1055834 0.82 AOC3 (0.55) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL27721078 0.82 AOC3 (0.55) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7442599 0.82 L3MBTL1 (0.54) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL8577668 0.81 PTGS1 (0.57) TSHR
SCHEMBL10550089 0.81 PTGS1 (0.57) TSHR
SCHEMBL10686594 0.81 PTGS1 (0.57) TSHR
SCHEMBL10921779 0.79 DRD1 (0.39) L3MBTL1POLB
SCHEMBL2087869 0.79 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL11604883 0.79 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2093768 0.79 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 — — US disclosed
EP-3919469-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF Fudan University (CN) 2021-12-08 — — EP disclosed
CN-110483474-B Preparation method of 2-methylene-1, 3, 5-triaryl-1, 5-pentanedione 上海应用技术大学 2021-09-28 — — CN disclosed
CN-110467549-B Preparation method of N-substituted 2-aminomethyl-1, 3, 5-triarylpentane-1, 5-diketone 上海应用技术大学 2021-09-24 — — CN disclosed
CN-113354559-A 2- (2-benzoyl-5-oxo-3, 5-diphenyl amyl) malononitrile derivative and preparation method thereof 上海应用技术大学 2021-09-07 — — CN disclosed
CN-113200915-A 3-aryl-4, 5-dihydro-1H-pyrazole-5 amine and preparation method thereof 上海应用技术大学 2021-08-03 — — CN disclosed
WO-2020156238-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF 复旦大学 2020-08-06 — — WO disclosed
CN-110483474-A A kind of preparation method of 2- methylene -1,3,5- triaryl -1,5- pentanedione SHANGHAI INST TECH 2019-11-22 — — CN disclosed
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 — — US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 — — US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 — — US disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 — — CN disclosed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 — — EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 — — WO disclosed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 — — EP disclosed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 — — CN disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 — — US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6242478-B1 ANTICARCINOGENIC AGENTS; REPLICATION INHIBITORS OF HUMAN LYMPHADENOPATHY ASSOCIATED VIRUS(HIV) WAKE FOREST UNIVERSITY 2001-06-05 — — US disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO 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 (4 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-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 AOC3 6/4885L3MBTL1 2054/4885CHRM2 1265/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A AOC3 2870/4885L3MBTL1 1258/4885CHRM2 2110/4885
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof GLS2, SRM, GLS AOC3 2490/4885L3MBTL1 3686/4885CHRM2 176/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A AOC3 2870/4885L3MBTL1 1258/4885CHRM2 2110/4885

“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.