SCHEMBL5873469

SCHEMBL5873469

COC(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ADRA2A P08913 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA1A P35348 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL25367842 1.00 ADRA2C (0.50) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL14145089 1.00 ADRA2C (0.50) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12894107 0.84 THRB (0.50) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL3842608 0.83 THRB (0.57) LMNATHRBALDH1A1CYP3A4CYP2D6
SCHEMBL5474351 0.83 THRB (0.57) LMNATHRBALDH1A1CYP3A4CYP2D6
SCHEMBL5396533 0.83 THRB (0.57) LMNATHRBALDH1A1CYP3A4CYP2D6
SCHEMBL5474344 0.83 THRB (0.57) LMNATHRBALDH1A1CYP3A4CYP2D6
SCHEMBL6558895 0.82 THRB (0.53) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL7958881 0.82 THRB (0.53) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL9842268 0.81 LMNA (0.48) ADRA2CKDM4EADRA2ALMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-20240400517-A1 CHIRAL BIMETALLIC COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2024-12-05 US disclosed
WO-2023151700-A1 DOUBLE-CHIRAL METAL COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE 上海交通大学 2023-08-17 WO disclosed
CN-116024281-A Method for degrading lignin by mechanochemical enzyme coupling 浙江工业大学 2023-04-28 CN disclosed
US-9359391-B2 Selective C—O bond cleavage of oxidized lignin and lignin-type materials into simple aromatic compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 US disclosed
WO-2015138563-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 WO disclosed
US-8969534-B2 Selective aerobic alcohol oxidation method for conversion of lignin into simple aromatic compounds Wisconsin Alumni Research Foundataion (US) 2015-03-03 US disclosed
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-08-21 US disclosed
EP-1299335-B1 CHIRAL COMPOUNDS II MERCK PATENT GMBH (DE) 2007-09-05 EP disclosed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 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 (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-20240400517-A1 CHIRAL BIMETALLIC COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE MAP2K4, MAP2K7, MAP2K5 ADRA2C 505/4885KDM4E 631/4885ADRA2A 1118/4885
US-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS AOC2, AOX1, AOC3 ADRA2C 1674/4885KDM4E 184/4885ADRA2A 3833/4885
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS AOX1, SOD1, NOX4 ADRA2C 910/4885KDM4E 715/4885ADRA2A 997/4885

“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.