SCHEMBL2958562

SCHEMBL2958562

O=[N+]([O-])c1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.92
TDP1 Q9NUW8 3/20 0.92
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
PTPN1 P18031 1/20 0.51
ADAMTS4 O75173 1/20 0.50
HPRT1 P00492 1/20 0.50
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MEN1 O00255 1/20 0.45

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
Biphenyl SCHEMBL7209601 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2PTPN1
Benzene SCHEMBL28038982 0.96 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2PTPN1
SCHEMBL30196067 0.96 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2PTPN1
SCHEMBL44392 0.96 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2PTPN1
Methane SCHEMBL2186810 0.94 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2PTPN1
Water SCHEMBL2045405 0.94 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2PTPN1
Hydrogen Sulfide SCHEMBL9671158 0.94 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2PTPN1
SCHEMBL11792031 0.94 ALDH1A1 (0.88) ALDH1A1TDP1CRHBPCRHR2PTPN1
Water SCHEMBL1828402 0.94 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2PTPN1
SCHEMBL29180134 0.92 ALDH1A1 (0.92) ALDH1A1TDP1CRHBPCRHR2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044061-A Europium-based metal organic framework material for aluminum ion ratio type detection and preparation method thereof 河南工程学院 2022-09-13 CN claimed
CN-115044061-A Europium-based metal organic framework material for aluminum ion ratio type detection and preparation method thereof 河南工程学院 2022-09-13 CN disclosed
CN-104230719-B A kind of method preparing substituted biphenyl HUAZHONG NORMAL UNIVERSITY (CN) 2016-04-13 CN disclosed
CN-104230719-A Method for preparing substituted biphenyl UNIV HUAZHONG NORMAL 2014-12-24 CN disclosed
WO-2014129764-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2014-08-28 WO disclosed
US-7772446-B2 Method for producing substituted biphenyls BASF SE (DE) 2010-08-10 US disclosed
CN-101600777-A The type material that is used for organic electroluminescence device MERCK PATENT GMBH (DE) 2009-12-09 CN disclosed
EP-1856024-B1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2008-08-06 EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 EP disclosed
EP-0888261-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997033846-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 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 (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-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 ALDH1A1 2309/4885TDP1 1458/4885CRHBP 1244/4885

“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.