SCHEMBL538858

SCHEMBL538858

CC(C)=CCCC(C)CC[O]

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.65
ALDH1A1 P00352 2/20 0.65
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
NFE2L2 Q16236 1/20 0.41
GGPS1 O95749 2/20 0.40
FDPS P14324 2/20 0.40
GLA P06280 1/20 0.36

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
SCHEMBL8652505 1.00 ALOX15 (0.65) ALOX15ALDH1A1TSHRUSP2TDP1
Acetaldehyde SCHEMBL27484714 0.94 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL9632904 0.84 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL9632911 0.84 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL11866536 0.82 ALOX15 (0.65) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL3117924 0.79 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1200044 0.79 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellol SCHEMBL1871004 0.79 ALOX15 (1.00) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1200047 0.79 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL10520940 0.79 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851479-B Method for preparing chiral alkyl compound by catalyzing asymmetric hydrogenation reaction of olefin with iron complex catalyst 浙江大学 2022-05-13 CN claimed
CN-112851479-A Method for preparing chiral alkyl compound by catalyzing asymmetric hydrogenation reaction of olefin with iron complex catalyst 浙江大学 2021-05-28 CN claimed
EP-3080238-B1 AUTOMATIC DISHWASHER DETERGENTS CONTAINING OXAZOLIDINE ODORIFEROUS SUBSTANCE PRECURSORS HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
US-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN S.A. (CH) 2014-12-04 US claimed
EP-2766333-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL Givaudan SA (CH) 2014-08-20 EP claimed
CN-103874675-A Process for the preparation of methoxymelonal GIVAUDAN SA 2014-06-18 CN claimed
US-8754028-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US claimed
WO-2013053787-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN SA (CH) 2013-04-18 WO claimed
WO-2013053102-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-04-18 WO claimed
US-20110268802-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY 2011-11-03 US claimed
EP-2366014-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-21 EP claimed
US-20100152083-A1 Perfume Systems PROCTER & GAMBLE COMPANY, THE 2010-06-17 US claimed
WO-2009027957-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2009-03-05 WO claimed
EP-0268198-B1 FERROELECTRIC LIQUID CRYSTALS F. HOFFMANN-LA ROCHE AG (CH) 1993-09-01 EP claimed
EP-0268198-A2 Ferroelectric liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP claimed
CN-112752745-B 2- (5-isopropyl-2-methylcyclohex-2-en-1-yl) acetaldehyde and 2- (6-isopropyl-3-methylcyclohex-2-en-1-yl) acetaldehyde as novel aromatic compounds 西姆莱斯股份公司 2024-01-26 CN disclosed
US-20220411716-A1 Consumer Products with Improved Aesthetics INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-12-29 US disclosed
US-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
US-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
EP-0268198-A2 Ferroelectric liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP 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-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL MSMO1, CYP17A1, CYP51A1 ALOX15 938/4885ALDH1A1 736/4885TSHR 3968/4885
US-20110268802-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 ALOX15 1141/4885ALDH1A1 1476/4885TSHR 4380/4885

“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.