SCHEMBL2431833

SCHEMBL2431833

CC(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
TSHR P16473 2/20 0.59
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
MMP16 P51512 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
ADAMTS4 O75173 1/20 0.43

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
SCHEMBL2431836 1.00 CYP1A2 (0.63) CYP1A2TSHRALDH1A1HSD17B10MMP1
SCHEMBL3003307 0.89 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL27474823 0.87 ALDH1A1 (0.58) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL28337091 0.85 CYP1A2 (0.54) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL10717343 0.85 TSHR (0.50) CYP1A2TSHRALDH1A1TDP1L3MBTL1
SCHEMBL7733065 0.84 CYP1A2 (0.57) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL2413159 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL11518980 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL29688451 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL974764 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397738-A1 HIGH VISCOSITY INDEX MONOMETHYL ESTER LUBRICATING OIL BASE STOCKS AND METHODS OF MAKING AND USE THEREOF ExxonMobil Research and Engineering Company (US) 2018-11-07 EP claimed
US-20180119045-A1 HIGH VISCOSITY INDEX MONOMETHYL ESTER LUBRICATING OIL BASE STOCKS AND METHODS OF MAKING AND USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-05-03 US claimed
CN-107412781-A Self assembly drug-loading system of ortho-nitrophenyl propionic acid taxol conjugate and its preparation method and application 北京大学 2017-12-01 CN claimed
WO-2017116900-A1 HIGH VISCOSITY INDEX MONOMETHYL ESTER LUBRICATING OIL BASE STOCKS AND METHODS OF MAKING AND USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-07-06 WO claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
CN-100357256-C Method for synthesizing o-aminophenylpropyl alcohol UNIV SHANGHAI (CN) 2007-12-26 CN claimed
CN-1760173-A Method for synthesizing o-aminophenylpropyl alcohol UNIV SHANGHAI (CN) 2006-04-19 CN claimed
EP-1282680-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2003-02-12 EP claimed
US-6503413-B2 Polyalkylene polysiloxane, buffering agent, aqueous carrier THE PROCTER & GAMBLE COMPANY 2003-01-07 US claimed
EP-1255806-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2002-11-13 EP claimed
US-20020011584-A1 Stable, aqueous compositions for treating surfaces, especially fabrics THE PROCTOR & GAMBLE COMPANY 2002-01-31 US claimed
US-20020010154-A1 Compositions comprising cyclodextrin THE PROCTER & GAMBLE COMPANY 2002-01-24 US claimed
WO-2001088076-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2001-11-22 WO claimed
US-6289286-B1 Surface regeneration of biosensors and characterization of biomolecules associated therewith BIACORE AB (SE) 2001-09-11 US claimed
WO-2001060961-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2001-08-23 WO claimed
EP-1082607-A1 SURFACE REGENERATION OF BIOSENSORS Biacore AB (SE) 2001-03-14 EP claimed
WO-1999063333-A1 SURFACE REGENERATION OF BIOSENSORS BIACORE AB (SE) 1999-12-09 WO claimed
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
EP-0211759-A2 Pyrimido[2,1-b]benzothiazole derivatives and their salts, process for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-02-25 EP 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-20020010154-A1 Compositions comprising cyclodextrin FFAR4, FRG1, FGB CYP1A2 2261/4885TSHR 3607/4885ALDH1A1 3053/4885

“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.