SCHEMBL130412

SCHEMBL130412

O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.64
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 3/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPT P10636 2/20 0.60
GPR35 Q9HC97 2/20 0.58
TP53 P04637 2/20 0.55
HTT P42858 1/20 0.55
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.53
CES2 O00748 1/20 0.53
CASP6 P55212 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL31514652 0.88 GPR35 (0.62) DTYMKALDH1A1TDP1CYP3A4ALOX15
SCHEMBL503450 0.85 CES2 (0.66) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL260006 0.84 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL13010942 0.83 GPR35 (0.56) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL2243892 0.83 GPR35 (0.56) DTYMKALDH1A1TDP1CYP3A4ALOX15
Lithium Ion SCHEMBL29084333 0.83 GPR35 (0.56) DTYMKALDH1A1TDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL3126469 0.83 CES2 (0.64) ALDH1A1TDP1CYP3A4ALOX15MAPT
Benzene SCHEMBL10436419 0.83 CES2 (0.69) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL45190 0.83 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
Benzene SCHEMBL10436420 0.83 CES2 (0.69) ALDH1A1TDP1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776942-A Method for preparing diaminobenzoic acid based on dinitrobenzoic acid 清源创新实验室 2024-03-29 CN claimed
CN-117185982-A Indoline compound and synthetic method and application thereof 三峡大学 2023-12-08 CN claimed
CN-116826208-A Lithium supplementing positive electrode material, preparation method and application of lithium nitrobenzoate, lithium ion battery and electric equipment 蜂巢能源科技(无锡)有限公司 2023-09-29 CN claimed
CN-114478058-A Sludge carbon-based micro-electrolysis filler for improving biochemical property of chemical wastewater and preparation method and application thereof 中国石化集团南京化学工业有限公司 2022-05-13 CN claimed
CN-107429399-B Activation method for silicon substrate 埃托特克德国有限公司 2020-02-07 CN claimed
US-10040732-B2 Process for the production of biaryl compounds DSM IP ASSETS B.V. (NL) 2018-08-07 US claimed
EP-3169651-B1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DSM IP ASSETS BV (NL) 2018-06-20 EP claimed
EP-3271500-B1 ACTIVATION METHOD FOR SILICON SUBSTRATES ATOTECH DEUTSCHLAND GMBH (DE) 2018-06-20 EP claimed
US-9960051-B2 Activation method for silicon substrates comprising at least two aromatic acids ATOTECH DEUTSCHLAND GMBH (US) 2018-05-01 US claimed
EP-3271500-A1 ACTIVATION METHOD FOR SILICON SUBSTRATES ATOTECH Deutschland GmbH (DE) 2018-01-24 EP claimed
US-20080020317-A1 Novel metal nanoparticle and formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-24 US claimed
US-20080003363-A1 Novel metal nanoparticle and method for formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-03 US claimed
US-20060278842-A1 High water-containing electrolytic solution for electrolytic capacitor WANG KUN-LI 2006-12-14 US claimed
US-5191010-A Emulsion having dye developing property NIPPON ZEON CO., LTD. (JP) 1993-03-02 US claimed
US-4715218-A Method of determining degree of embrittlement of low alloy steel KABUSHIKI KAISHA TOSHIBA (JP) 1987-12-29 US claimed
US-4601920-A DISSOLVING METAL AROMATIC CARBOXYLATE IN ORGANIC SOLVENT FUJI PHOTO FILM CO., LTD. (JP) 1986-07-22 US claimed
US-4480025-A Water reservoir layers in bleach-fix sheets EASTMAN KODAK COMPANY (US) 1984-10-30 US claimed
US-4346014-A INCLUSION OF NITRO COMPOUND IN ROLLING OIL PENNWALT CORPORATION (US) 1982-08-24 US claimed
US-4256826-A COLOR PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1981-03-17 US claimed
US-4159208-A REACTING ALKALI METAL SALT OF AN AROMATIC CARBOXYLIC ACID AND A METAL SALT IN THE PRESENCE OF CLAY AND ALUMINUM COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-06-26 US 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 (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-10040732-B2 Process for the production of biaryl compounds DDT, COASY, ALDH3A1 DTYMK 1164/4885ALDH1A1 52/4885TDP1 2579/4885

“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.