SCHEMBL3115674

SCHEMBL3115674

O=[N+]([O-])[CH]CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
GPR52 Q9Y2T5 3/20 0.42
FBP1 P09467 1/20 0.41
FFAR1 O14842 1/20 0.41
CPA1 P15085 3/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL1231747 0.88 HDAC3 (0.43) KEAP1RAB9ASMN1; SMN2NPC1HTR2A
SCHEMBL11418714 0.85 MAPT (0.46)
SCHEMBL1319701 0.80 GPR52 (0.47) GPR52FBP1ALDH1A1SMN1; SMN2
SCHEMBL27399157 0.80 FBP1 (0.44) GPR52FBP1FFAR1ALDH1A1HSD17B10
SCHEMBL28199682 0.80 KCNJ1 (0.45) FBP1FFAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1319705 0.80 GPR52 (0.47) GPR52FBP1ALDH1A1SMN1; SMN2
SCHEMBL564297 0.78 MAOB (0.48) FBP1CPA1ALDH1A1SMN1; SMN2
SCHEMBL825002 0.73 FBP1 (0.44) FBP1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14159703 0.72 FBP1 (0.51) GPR52FBP1CPA1ALDH1A1HPGD
SCHEMBL14284295 0.72 FBP1 (0.51) GPR52FBP1CPA1ALDH1A1HPGD

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 27 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-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
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 disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US 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 KEAP1 1757/4885GPR52 43/4885FBP1 2214/4885
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same ELOVL1, NOTUM, ELOVL5 KEAP1 3916/4885GPR52 4000/4885FBP1 4852/4885
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same ELOVL1, NOTUM, ELOVL5 KEAP1 3916/4885GPR52 4000/4885FBP1 4852/4885

“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.