SCHEMBL7196477

SCHEMBL7196477

CCCCCCCCCCCCC(O)COCCCC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
HTT P42858 1/20 0.63
LPAR5 Q9H1C0 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
SPHK1 Q9NYA1 1/20 0.49
GPR84 Q9NQS5 5/20 0.47
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
PLA2G2C Q5R387 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LPAR6 P43657 2/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR4 Q99677 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
LPAR3 Q9UBY5 2/20 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
SCHEMBL10420535 1.00 USP2 (0.66) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL8776856 0.96 USP2 (0.61) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL9330015 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL4295700 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL28910127 0.96 USP2 (0.66) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL10893424 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL7644994 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL631005 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL3392479 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL29160588 0.96 USP2 (0.71) USP2HTTLPAR5CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608230-B2 Oxidation of olefinic substrates with organic hydroperoxides and opening of resultant oxirane ring by mono- or polyhydric alcohols, using molybdenum compounds in combination with boron trifluoride or alumia as catalyst WE-DEA Aktiengesellschaft für Mineraloel und Chemie (DE) 2003-08-19 US disclosed
EP-0979220-B1 SINGLE-STAGE METHOD FOR PRODUCING ALPHA-HYDROXY ETHERS BY OXIDIZING C=C-UNSATURATED COMPOUNDS WITH HYDROPEROXIDES SASOL GERMANY GMBH (DE) 2002-06-19 EP disclosed
US-20020072637-A1 Single-stage method for producing alpha-hydroxy ethers by oxidizing C=C unsaturated compounds with hydroperoxides SASOL GERMANY GMBH (DE) 2002-06-13 US disclosed
US-6380439-B1 USING CATALYST MIXTURE CONTAINING MOLYBDENUM COMPOUND RWE-DEA AKTIENGESELLSCHAFT FUR MINERALOEL UND CHEMIE (DE) 2002-04-30 US disclosed
EP-0979220-A1 SINGLE-STAGE METHOD FOR PRODUCING ALPHA-HYDROXY ETHERS BY OXIDIZING C=C-UNSATURATED COMPOUNDS WITH HYDROPEROXIDES SASOL Germany GmbH (DE) 2000-02-16 EP disclosed
WO-1998047844-A1 SINGLE-STAGE METHOD FOR PRODUCING α-HYDROXY ETHERS BY OXIDIZING C=C-UNSATURATED COMPOUNDS WITH HYDROPEROXIDES RWE-DEA Aktiengesellschaft für Mineraloel und Chemie (DE) 1998-10-29 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-20020072637-A1 Single-stage method for producing alpha-hydroxy ethers by oxidizing C=C unsaturated compounds with hydroperoxides ADH1C, AOC2, OXER1 USP2 1530/4885HTT 2938/4885LPAR5 2114/4885

“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.