SCHEMBL8023085

SCHEMBL8023085

CCCC(C)CCOC(=O)OCCC(C)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.40
CHRNB2 P17787 5/20 0.37
CHRNA4 P43681 5/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL14525672 0.91 ALOX15 (0.42) ALOX15TSHRCHRNB2CHRNA4CHRNB4
SCHEMBL14990832 0.87 ACE2 (0.41) ALOX15TSHRALDH1A1HDAC1HDAC2
SCHEMBL14990955 0.87 ACE2 (0.46) ALOX15TSHRALDH1A1TDP1ACE2
SCHEMBL15542057 0.84 ALOX15 (0.61) ALOX15TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL3088928 0.84 ALDH1A1 (0.42) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL29896385 0.84 ACE2 (0.56) ACE2CA1
SCHEMBL4555785 0.82 ALOX15 (0.44) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL4923499 0.81 TSHR (0.38) TSHRALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL28270018 0.81 ALOX15 (0.41) ALOX15TSHRCHRNB2CHRNA4CHRNB4
SCHEMBL18723018 0.81 ALDH1A1 (0.46) TSHRALDH1A1ACE2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788315-A1 METHOD FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL BASF SE (DE) 2014-10-15 EP disclosed
WO-2013083618-A1 METHOD FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL BASF SE (DE) 2013-06-13 WO disclosed
US-20130144080-A1 PROCESS FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL BASF SE (DE) 2013-06-06 US disclosed
EP-0976809-A2 Lubrication oil composition Mitsui Chemicals, Inc. (JP) 2000-02-02 EP disclosed
EP-0534735-B1 Lubricating oil composition MITSUI PETROCHEMICAL IND (JP) 1997-05-28 EP disclosed
EP-0711823-A2 Lubricating oil composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-05-15 EP disclosed
US-5326486-A Useful with hydrogenated fluorocarbon refrigerants, carbonate compounds and carbonate modified polyethers MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-07-05 US disclosed
EP-0534735-A1 Lubricating oil composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-03-31 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-20130144080-A1 PROCESS FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL AGL, GNE, ADH1C ALOX15 1557/4885TSHR 3891/4885ALDH1A1 2328/4885

“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.