SCHEMBL45896

SCHEMBL45896

CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.80
MAOB P27338 2/20 0.61
MAPT P10636 6/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
NQO1 P15559 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CRHBP P24387 1/20 0.55

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
Methylamine SCHEMBL7163575 0.96 PTGS2 (0.75) PTGS2MAOBMAPTMEN1KMT2A
Phosphoric Acid SCHEMBL23849470 0.91 PTGS2 (0.69) PTGS2MAOBMAPTMEN1KMT2A
1-Hydroxy-4-Ethoxybenzene SCHEMBL9671493 0.91 PTGS2 (0.69) PTGS2MAOBMAPTMEN1KMT2A
SCHEMBL28541673 0.91 PTGS2 (0.69) PTGS2MAOBMAPTMEN1KMT2A
SCHEMBL11348624 0.89 PTGS2 (0.67) PTGS2MAOBMAPTMEN1KMT2A
SCHEMBL15008305 0.89 PTGS2 (0.67) PTGS2MAOBMAPTMEN1KMT2A
SCHEMBL27445875 0.86 PTGS2 (0.63) PTGS2MAOBMAPTMEN1KMT2A
SCHEMBL4326273 0.84 MAPT (0.62) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL2565246 0.84 MAPT (0.67) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL4127905 0.84 MEN1 (0.70) PTGS2MAPTMEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037303-B2 Method for preparing diaryl p-phenylenediamine compounds SENNICS CO., LTD. (CN) 2024-07-16 US claimed
US-20240076264-A1 METHOD FOR PREPARING DIARYL P-PHENYLENEDIAMINE COMPOUNDS SENNICS CO., LTD. (CN) 2024-03-07 US claimed
CN-116425653-A Preparation method of N, N' -di (p-ethoxyphenyl) -1, 4-phthalimide 烟台盛凯伦化学科技有限公司 2023-07-14 CN claimed
CN-107033006-B Preparation method of diaryl ketone 长沙理工大学 2018-12-18 CN claimed
CN-108840802-A A kind of synthetic method of the synthesis of intermediate 4- Aminophenethyl alcohol 杨程飞扬 2018-11-20 CN claimed
CN-108538591-A A kind of heat safe conducting high polymers object electrolytic capacitor and preparation method thereof 常州华威电子有限公司 2018-09-14 CN claimed
CN-107033006-A Preparation method of diaryl ketone 长沙理工大学 2017-08-11 CN claimed
CN-1539821-A Molecule material of teera aryl aether pentacites 复旦大学 2004-10-27 CN claimed
CN-1032259-C Polymer scale inhibitor and method for preventing polymer scale deposition using the same SHINETSU CHEMICAL CO (JP) 1996-07-10 CN claimed
EP-0212375-B1 MODERATED REDUCTION REACTIONS FOR PRODUCING ARYLHYDROXYLAMINES MicroSi, Inc. (a Delaware corporation) (US) 1993-06-16 EP claimed
US-4782190-A Process for the preparation of 4-nitrophenetol BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 US claimed
US-4764263-A Electrochemical synthesis of substituted aromatic amines in basic media THE DOW CHEMICAL COMPANY (US) 1988-08-16 US claimed
US-4723030-A ACID CATALYTIC HYDROGENATION OF NITROAROMATIC COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1988-02-02 US claimed
US-4709107-A Process for producing nitrones GENERAL ELECTRIC COMPANY (US) 1987-11-24 US claimed
EP-0239872-A1 Process for preparing 4-nitrophenetole BAYER AG (DE) 1987-10-07 EP claimed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 EP claimed
EP-0065770-B1 PROCESS FOR THE SYNTHESIS OF P-NITROPHENETOL HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-09 EP claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-4454355-A Process for the preparation of p-nitrophenetole HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-12 US claimed
US-4157445-A Method for the preparation of quinoline and aniline compounds UNION CARBIDE CORPORATION (US) 1979-06-05 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 (2 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-20240076264-A1 METHOD FOR PREPARING DIARYL P-PHENYLENEDIAMINE COMPOUNDS C9, C1S, CCND2 PTGS2 1302/4885MAOB 252/4885MAPT 4295/4885
US-12037303-B2 Method for preparing diaryl p-phenylenediamine compounds C9, C1S, CCND2 PTGS2 1302/4885MAOB 252/4885MAPT 4295/4885

“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.