SCHEMBL3328542

SCHEMBL3328542

CC(C)=CCCC(C)CCOC(=O)Cl

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.75
ALDH1A1 P00352 3/20 0.52
EPHX2 P34913 1/20 0.46
NFE2L2 Q16236 1/20 0.44
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37

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
Citronellyl Acetate SCHEMBL20912959 0.86 ALOX15 (1.00) ALOX15ALDH1A1EPHX2NFE2L2USP2
Citronellyl Acetate SCHEMBL1866109 0.86 ALOX15 (1.00) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL6560209 0.86 ALOX15 (0.80) ALOX15ALDH1A1EPHX2NFE2L2USP2
Citronellyl Acetate SCHEMBL157075 0.86 ALOX15 (1.00) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL6951123 0.86 ALOX15 (0.80) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL3332691 0.84 ALOX15 (0.77) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL133434 0.84 ALOX15 (0.77) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL5314344 0.84 ALOX15 (0.77) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL5027852 0.83 ALOX15 (0.71) ALOX15ALDH1A1EPHX2NFE2L2USP2
SCHEMBL6031146 0.83 ALOX15 (0.48) ALOX15ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137627-A1 3-(2-Alkoxycarbonyloxy-Phenyl) Acrylic Acid Esters and Their Use as Precursors for the Delivery of Olfactory Compounds GIVAUDAN SA (CH) 2010-06-03 US disclosed
US-20080269102-A1 3-(2-Alkoxycarbonyloxy-Phenyl) Acrylic Acid Esters And Their Use As Precursors For The Delivery Of Olfactory Compounds GIVAUDAN SA (CH) 2008-10-30 US disclosed
EP-1725515-A1 3-(2-ALKOXYCARBONYLOXY-PHENYL)ACRYLIC ACID ESTERS AND THEIR USE AS PRECURSORS FOR THE DELIVERY OF OLFACTORY COMPOUNDS Givaudan SA (CH) 2006-11-29 EP disclosed
WO-2005077881-A1 3-(2-ALKOXYCARBONYLOXY-PHENYL) ACRYLIC ACID ESTERS AND THEIR USE AS PRECURSORS FOR THE DELIVERY OF OLFACTORY COMPOUNDS GIVAUDAN SA (CH) 2005-08-25 WO disclosed
US-6569411-B2 Deodoring, microbiocides, marking odors THE GILLETTE COMPANY 2003-05-27 US disclosed
US-20030018055-A1 Serine carbonates FRATER GEORGE (CH) 2003-01-23 US disclosed
EP-1053223-A1 SERINE CARBONATES Givaudan SA (CH) 2000-11-22 EP disclosed
WO-2000034232-A1 SERINE CARBONATES GIVAUDAN SA (CH) 2000-06-15 WO disclosed
EP-1008587-A1 Serine carbonates Givaudan Roure (International) S.A. (CH) 2000-06-14 EP disclosed
US-4119106-A VINYL CARBONATE MONOMER, SMOKING PHILIP MORRIS, INCORPORATED (US) 1978-10-10 US disclosed
US-4017505-A FUNGICIDES, ANTHELMINTICS MERCK & CO., INC. (US) 1977-04-12 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 (3 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-20030018055-A1 Serine carbonates SRR, ME1, TASP1 ALOX15 1041/4885ALDH1A1 749/4885EPHX2 2987/4885
US-20080269102-A1 3-(2-Alkoxycarbonyloxy-Phenyl) Acrylic Acid Esters And Their Use As Precursors For The Delivery Of Olfactory Compounds OR10J3, OR51E2, TAS2R43 ALOX15 406/4885ALDH1A1 158/4885EPHX2 317/4885
US-20100137627-A1 3-(2-Alkoxycarbonyloxy-Phenyl) Acrylic Acid Esters and Their Use as Precursors for the Delivery of Olfactory Compounds OR10J3, OR51E2, TAS2R43 ALOX15 406/4885ALDH1A1 158/4885EPHX2 317/4885

“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.