SCHEMBL10002133

SCHEMBL10002133

C/C=C/C=C/C=C/C(=O)OC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.50
ALDH1A1 P00352 2/20 0.43
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL10388248 0.98 SOAT1 (0.52) SOAT1ALDH1A1HCAR2LMNAMAPK1
SCHEMBL8654856 0.84 HCAR2 (0.54) ALDH1A1HCAR2LMNAMAPK1HTT
SCHEMBL418036 0.84 HCAR2 (0.54) ALDH1A1HCAR2LMNAMAPK1HTT
SCHEMBL329729 0.84 HCAR2 (0.54) ALDH1A1HCAR2LMNAMAPK1HTT
SCHEMBL330246 0.84 HCAR2 (0.54) ALDH1A1HCAR2LMNAMAPK1HTT
SCHEMBL345936 0.82 HCAR2 (0.56) SOAT1ALDH1A1HCAR2LMNAMAPK1
SCHEMBL28251620 0.82 HCAR2 (0.56) SOAT1ALDH1A1HCAR2LMNAMAPK1
SCHEMBL345935 0.82 HCAR2 (0.56) SOAT1ALDH1A1HCAR2LMNAMAPK1
SCHEMBL11792235 0.82 HCAR2 (0.56) SOAT1ALDH1A1HCAR2LMNAMAPK1
SCHEMBL28175083 0.82 SOAT1 (0.67) SOAT1ALDH1A1HCAR2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022282-A1 PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL GIULIANI S.P.A. (IT) 2012-01-26 US disclosed
US-20120022282-A1 PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL GIULIANI S.P.A. (IT) 2012-01-26 US 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-20120022282-A1 PROCESS FOR THE PREPARATION OF 2,4,6-OCTATRIENE-1-OIC ACID AND 2,4,6-OCTATRIENE-1-OL OSTC, APEH, OXER1 SOAT1 214/4885ALDH1A1 424/4885HCAR2 148/4885

“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.