SCHEMBL872939

SCHEMBL872939

CC(=O)OCCC(C)CCCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.58
ALOX15 P16050 2/20 0.58
BLM P54132 1/20 0.52
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.43
EGFR P00533 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 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
SCHEMBL215965 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL997389 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL997391 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL3505233 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL14094312 0.92 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL16048661 0.92 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL31412851 0.89 PTPN1 (0.55) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL16166818 0.89 PTPN1 (0.55) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL25341538 0.88 ALOX15 (0.61) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL7552905 0.87 ALOX15 (0.70) PTPN1ALOX15LMNAALDH1A1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115594-A1 ACETIC ACID FOR INTENSIFYING OR MODIFYING THE AROMA OF AROMA CHEMICALS BASF SE (DE) 2024-06-06 WO claimed
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 CN claimed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 CN claimed
US-9200298-B2 Host cells and methods for producing isoprenyl alkanoates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-01 US claimed
US-20100180491-A1 Host Cells and Methods for Producing Isoprenyl Alkanoates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 US claimed
WO-2009006386-A2 HOST CELLS AND METHODS FOR PRODUCING ISOPRENYL ALKANOATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-08 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-4727515-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-04-22 EP disclosed
EP-3578161-B1 METHOD FOR IMPROVING STORAGE STABILITY OF COSMETIC ADEKA CORP (JP) 2025-11-12 EP disclosed
EP-4593787-A1 ALCOHOL-FREE FRAGRANCE COMPOSITION ITC Life Sciences & Technology Centre (IN) 2025-08-06 EP disclosed
WO-2025126062-A1 ALCOHOL-FREE FRAGRANCE COMPOSITION ITC LIFE SCIENCES & TECHNOLOGY CENTRE (IN) 2025-06-19 WO disclosed
WO-2024256539-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-19 WO disclosed
US-20240400471-A1 LABELING METHOD, OXIDANT FOR LABELING, RUTHENIUM COMPLEX, CATALYST, LABELING COMPOUND, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-12-05 US disclosed
WO-1999026601-A1 NITRILE PERFUMERY MATERIAL BUSH BOAKE ALLEN INC. (US) 1999-06-03 WO disclosed
US-5888962-A CONTAINING 3-METHYL-5-(PHENYL OR CYCLOHEXYL)-PENTANENITRILE BUSH BOAKE ALLEN INC. (US) 1999-03-30 US disclosed
EP-0545556-B1 Perfume composition QUEST INT (NL) 1997-07-23 EP disclosed
US-5554588-A IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-09-10 US disclosed
US-5482635-A Fabric conditioner with deodorant perfume composition LEVER BROTHERS COMPANY (US) 1996-01-09 US disclosed
EP-0684037-A1 Deodorant compositions UNILEVER PLC (GB) 1995-11-29 EP disclosed
EP-0545556-A2 Perfume composition QUEST INTERNATIONAL NEDERLAND BV (NL) 1993-06-09 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 (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-20240400471-A1 LABELING METHOD, OXIDANT FOR LABELING, RUTHENIUM COMPLEX, CATALYST, LABELING COMPOUND, AND COMPOUND HAO2, LPO, HAO1 PTPN1 4579/4885ALOX15 295/4885BLM 2990/4885

“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.