SCHEMBL3890589

SCHEMBL3890589

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.34
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33
BLM P54132 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7703195 1.00 MEN1 (0.42) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL28476303 0.92 ALOX15 (0.42) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL17822155 0.89 MEN1 (0.40) MEN1KMT2ACYP3A4ALOX15KDM4E
Pentanal SCHEMBL20856850 0.83 TSHR (0.45) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL27509626 0.83
SCHEMBL16357610 0.82 ALDH1A1 (0.50) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL5306831 0.82 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL464975 0.82 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL5604094 0.82 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL94185 0.82 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450532-B2 Organic compounds and their use as fragrance ingredients GIVAUDAN S.A. (CH) 2019-10-22 US claimed
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS GIVAUDAN S.A. (CH) 2017-11-16 US claimed
EP-3230245-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS Givaudan SA (CH) 2017-10-18 EP claimed
EP-3149135-A2 PERFUME COMPOSITIONS Givaudan S.A. (CH) 2017-04-05 EP claimed
US-20170073614-A1 Perfume Compositions GIVAUDAN SA (CH) 2017-03-16 US claimed
WO-2016091895-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2016-06-16 WO claimed
WO-2015181257-A2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2015-12-03 WO claimed
CN-111836667-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-02-23 CN disclosed
US-20230287297-A1 Perfume Compositions GIVAUDAN SA (CH) 2023-09-14 US disclosed
US-11639484-B2 Perfume compositions GIVAUDAN SA (CH) 2023-05-02 US disclosed
CN-114340775-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-04-12 CN disclosed
CN-111527191-B Encapsulated perfume compositions and methods of making same 奇华顿股份有限公司 2021-12-31 CN disclosed
CN-113853192-A Core-shell encapsulated compositions comprising benefit agents 奇华顿股份有限公司 2021-12-28 CN disclosed
EP-1931324-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-06-18 EP disclosed
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-17 US disclosed
WO-2007028000-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-03-08 WO disclosed
EP-0983221-B1 CYCLOHEXANEDIOL DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-04-03 EP disclosed
EP-0983221-A1 CYCLOHEXANEDIOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-08 EP disclosed
US-5969190-A TREATING HYPERPROLIFERATIVE SKIN DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
WO-1998052894-A1 CYCLOHEXANEDIOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1998-11-26 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 (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-10450532-B2 Organic compounds and their use as fragrance ingredients C9, C5, HRH1 MEN1 1500/4885KMT2A 2128/4885CYP3A4 567/4885
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 CYP24A1, VDR, CYP2R1 MEN1 279/4885KMT2A 4855/4885CYP3A4 367/4885
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS C5, C9, DHCR24 MEN1 965/4885KMT2A 2438/4885CYP3A4 811/4885

“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.