SCHEMBL2447719

SCHEMBL2447719

CCC=Cc1ccccc1CCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
MMP2 P08253 2/20 0.40
SAE1 Q9UBE0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ECE1 P42892 1/20 0.40
SGMS1 Q86VZ5 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MUS81 Q96NY9 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40

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
SCHEMBL15609803 0.93 CYP3A4 (0.41) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL27875985 0.88 F7 (0.49) LIPGTHRATHRBF7F3
SCHEMBL9802025 0.88 LIPG (0.49) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9801998 0.88 LIPG (0.49) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9802364 0.88 LIPG (0.49) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9802003 0.88 LIPG (0.49) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9802374 0.88 LIPG (0.49) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9802035 0.88 LIPG (0.49) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9560225 0.87 LIPG (0.51) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9560223 0.87 LIPG (0.51) LIPGTHRATHRBNR1H2NR1H3

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
US-9273252-B2 Production of aromatics from noncatalytically cracked fatty acid based oils UNIVERSITY OF NORTH DAKOTA (US) 2016-03-01 US disclosed
EP-2699533-A2 PRODUCTION OF AROMATICS FROM NONCATALYTICALLY CRACKED FATTY ACID BASED OILS University of North Dakota (US) 2014-02-26 EP disclosed
US-8450541-B2 Making high octane jet fuel with low lead by cracking a biomass oil, decarboxylating the middle distillate, and blending with a fuel; making bio-derived benzene, toluene, cumene, xylene, and ethylbenzene THE UNIVERSITY OF NORTH DAKOTA (US) 2013-05-28 US disclosed
WO-2012145740-A2 PRODUCTION OF AROMATICS FROM NONCATALYTICALLY CRACKED FATTY ACID BASED OILS UNIVERSITY OF NORTH DAKOTA (US) 2012-10-26 WO disclosed
US-20120271083-A1 PRODUCTION OF AROMATICS FROM NONCATALYTICALLY CRACKED FATTY ACID BASED OILS UNIVERSITY OF NORTH DAKOTA (US) 2012-10-25 US disclosed
EP-2367905-A2 METHOD FOR PRODUCING CYCLIC ORGANIC COMPOUNDS FROM CROP OILS University of North Dakota (US) 2011-09-28 EP disclosed
US-20100145117-A1 METHOD FOR PRODUCING CYCLIC ORGANIC COMPOUNDS FROM CROP OILS UNIVERSITY OF NORTH DAKOTA (US) 2010-06-10 US disclosed
WO-2010062390-A2 METHOD FOR PRODUCING CYCLIC ORGANIC COMPOUNDS FROM CROP OILS UNIVERSITY OF NORTH DAKOTA (US) 2010-06-03 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 (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-20100145117-A1 METHOD FOR PRODUCING CYCLIC ORGANIC COMPOUNDS FROM CROP OILS ALK, SCD, BMP1 LIPG 7/4885THRA 3639/4885THRB 2534/4885

“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.