SCHEMBL3115677

SCHEMBL3115677

[CH2]CC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
NPC1 O15118 2/20 0.40
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 5/20 0.35
CPA1 P15085 3/20 0.33
MEN1 O00255 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ACP3 P15309 1/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1231748 0.84 GSR (0.40) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL10618930 0.82 GSR (0.41) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL27340252 0.79 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL8125002 0.79 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL3336779 0.79 GSR (0.55) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL5532878 0.79 GSR (0.42) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL162874 0.79 TAAR1 (0.48) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL266714 0.79 LMNA (0.43) GSRNPC1ADAM17ALDH1A1LMNA
SCHEMBL10474946 0.78 CPA1 (0.47) GSRALDH1A1CPA1ACP3
SCHEMBL6025382 0.78 GSR (0.41) GSRNPC1ADAM17ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3688124-B1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-25 EP claimed
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP claimed
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-07-14 US claimed
CN-111386331-A Ester compound, lubricating oil composition containing same, and method for producing same 埃克森美孚化学专利公司 2020-07-07 CN claimed
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-04-04 US claimed
WO-2019067061-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO claimed
EP-0282303-B1 1,5-DIPHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AND HERBICIDAL COMPOSITION CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-01-15 EP claimed
EP-0282303-A1 1,5-Diphenyl-1H-1,2,4-triazole-3-carboxamide derivatives and herbicidal composition containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-09-14 EP claimed
EP-3676240-B1 ESTER COMPOUNDS AND LUBRICATING OIL COMPOSITIONS CONTAINING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-11-01 EP disclosed
EP-3688124-B1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-25 EP disclosed
CN-111032613-B Ester compound, lubricating oil composition containing the same, and method for producing the same 埃克森美孚化学专利公司 2023-03-28 CN disclosed
EP-3688124-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-08-05 EP disclosed
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-07-14 US disclosed
EP-3676240-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME ExxonMobil Chemical Patents Inc. (US) 2020-07-08 EP disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
WO-2010059711-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-27 WO disclosed
US-20090131352-A1 Aptamers comprising arabinose modified nucleotides MCGILL UNIVERSITY (CA) 2009-05-21 US disclosed
EP-1931694-A1 APTAMERS COMPRISING ARABINOSE MODIFIED NUCLEOTIDES McGILL UNIVERSITY (CA) 2008-06-18 EP disclosed
WO-2007038869-A1 APTAMERS COMPRISING ARABINOSE MODIFIED NUCLEOTIDES MCGILL UNIVERSITY (CA) 2007-04-12 WO disclosed
WO-2005105257-A1 CHROMATOGRAPHIC STATIONARY PHASE FOR SEPARATION OF CYCLODEXTRINE AND DERIVATIVES THEREOF CHIROQUEST KIRÁLIS TECHNOLÓGIÁKAT FEJLESZTÖ KFT. (HU) 2005-11-10 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 (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-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 GSR 3053/4885NPC1 711/4885ADAM17 4759/4885
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same ELOVL1, NOTUM, ELOVL5 GSR 2984/4885NPC1 546/4885ADAM17 3805/4885
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same ELOVL1, NOTUM, ELOVL5 GSR 2984/4885NPC1 546/4885ADAM17 3805/4885

“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.