SCHEMBL5136231

SCHEMBL5136231

CC(=O)CC(C)CCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.57
ALDH1A1 P00352 3/20 0.57
GGPS1 O95749 2/20 0.49
FDPS P14324 2/20 0.49
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.46
GLA P06280 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.38

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
SCHEMBL4608511 1.00 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
Formaldehyde SCHEMBL5704728 0.96 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL991834 0.87 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL6050718 0.87 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL193354 0.85 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL712982 0.85 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR
Citronellic Acid SCHEMBL714852 0.85 ALOX15 (0.55) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL5704674 0.83 ALOX15 (0.46) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL1477739 0.83 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSTSHR
SCHEMBL14418807 0.83 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
US-11696581-B2 Monoterpenoid/phenylpropanoid-containing compounds and methods of their making and use as seed treatments KITTRICH CORPORATION (US) 2023-07-11 US disclosed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
CN-115109652-A Compound and fragrance-imparting composition using the same 长谷川香料株式会社 2022-09-27 CN disclosed
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2018-02-15 US disclosed
US-9834738-B2 Octahydro-1H-4,7-methano-indene-5-aldehydes and their use in perfume compositions INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2017-12-05 US disclosed
US-9713330-B1 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2017-07-25 US disclosed
EP-2589649-B1 Octahydro-1H-4,7-methano-indene-5-aldehydes and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2015-11-25 EP disclosed
US-9179670-B2 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2015-11-10 US disclosed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US disclosed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US disclosed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US disclosed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP disclosed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO disclosed
EP-1347036-A2 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
US-3970704-A Alkoxy substituted aliphatic di-olefinic halides ZOECON CORPORATION (US) 1976-07-20 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-11696581-B2 Monoterpenoid/phenylpropanoid-containing compounds and methods of their making and use as seed treatments ALOX5, PTGES, ALOX15 ALOX15 3/4885ALDH1A1 572/4885GGPS1 10/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALOX15 68/4885ALDH1A1 2604/4885GGPS1 244/4885
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 ALOX15 563/4885ALDH1A1 11/4885GGPS1 3800/4885

“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.