SCHEMBL1017052

SCHEMBL1017052

CC=CCCCCCOC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LPAR2 Q9HBW0 6/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR1 Q92633 3/20 0.38
CNR1 P21554 2/20 0.34

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
SCHEMBL7989976 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL5854733 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL5854738 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL7119152 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL5853223 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL5853219 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL6696775 1.00 ALDH1A1 (0.43) ALDH1A1LPAR2LPAR3LPAR1CNR1
SCHEMBL8003221 0.97
SCHEMBL1017304 0.97
SCHEMBL765792 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247595-B2 Organic sulfur compound and its use for controlling harmful arthropod SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2487149-A1 METHOD FOR PRODUCING KETONE JX Nippon Oil & Energy Corporation (JP) 2012-08-15 EP disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 US disclosed
EP-2152668-B1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS SUMITOMO CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-1358140-A1 METHOD FOR PRODUCING 1-OCTEN Oxeno Olefinchemie GmbH (DE) 2003-11-05 EP disclosed
WO-2002062732-A1 METHOD FOR PRODUCING 1-OCTEN OXENO OLEFINCHEMIE GMBH (DE) 2002-08-15 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 (2 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-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD C5, L3MBTL3, C1S ALDH1A1 363/4885LPAR2 4014/4885LPAR3 2323/4885
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE CBR1, CBR3, DUOX1 ALDH1A1 79/4885LPAR2 3613/4885LPAR3 3562/4885

“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.