SCHEMBL5609739

SCHEMBL5609739

CO[CH]CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
MAOA P21397 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AOC3 Q16853 1/20 0.42

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
SCHEMBL11723363 0.92 SIGMAR1 (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL1157684 0.87 GPR52 (0.42) IDO1TDP1AOC3HTR2A
SCHEMBL8567635 0.80 ADRA1A (0.48) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL430012 0.76 SIGMAR1 (0.54) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL3334933 0.75 SIGMAR1 (0.52) ADRA1ASLC6A3IDO1L3MBTL1SIGMAR1
SCHEMBL28115040 0.75 IDO1 (0.41) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL732203 0.73 MAOB (0.52) IDO1TDP1MAOB
Butylbenzyl SCHEMBL27439483 0.73 SIGMAR1 (0.55) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL867076 0.73 ALDH1A1 (0.52) ADRA1ASLC6A3IDO1L3MBTL1SIGMAR1
SCHEMBL9316549 0.72 SIGMAR1 (0.45) CHRM2HTR1AADRA2ACHRM1DRD1

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 44 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
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
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-04-04 US 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-20030018197-A1 Anti-HIV pyrazole derivatives HOFFMANN-LA ROCHE INC. 2003-01-23 US disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO disclosed
WO-2002030907-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-04-18 WO disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (5 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 CHRM2 4790/4885HTR1A 3350/4885ADRA2A 3857/4885
US-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E CHRM2 4761/4885HTR1A 4572/4885ADRA2A 4182/4885
US-20030018197-A1 Anti-HIV pyrazole derivatives CYP51A1, TYMP, POLRMT CHRM2 4668/4885HTR1A 4211/4885ADRA2A 4093/4885
US-10711216-B2 Ester compounds, lubricating oil compositions containing same and processes for making same ELOVL1, NOTUM, ELOVL5 CHRM2 4257/4885HTR1A 4706/4885ADRA2A 3786/4885
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same ELOVL1, NOTUM, ELOVL5 CHRM2 4257/4885HTR1A 4706/4885ADRA2A 3786/4885

“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.