Sugi Predict

Sugi Predict / Compounds / SCHEMBL233123

SCHEMBL233123

SCHEMBL233123

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.47
▸ USP2 O75604 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SRC P12931 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL22111423 1.00 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL14248199 1.00 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL23892698 1.00 ALOX15 (0.52) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL30886891 0.82 ALOX15 (0.35) ALOX15TSHRALDH1A1
SCHEMBL2006490 0.81 ALOX15 (0.50) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL6908214 0.78 ALOX15 (0.47) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL29785 0.77 ALOX15 (0.55) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL17242080 0.77 ALOX15 (0.55) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL17967768 0.77 ALOX15 (0.55) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL6444472 0.77 ALDH1A1 (0.35) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137196-A SODIUM, POTASSIUM AND/OR AMMONIUM PHOSPHATES AND/OR CARBONATES KAO SOAP CO., LTD. (JP) 1979-01-30 — — US claimed
US-3997610-A DISTILLATION, METAL BORATE RHONE-POULENC S.A. (FR) 1976-12-14 — — US claimed
JP-6072931-A — — None — — JP disclosed
CN-113766969-B Method for preparing microcapsules 西姆莱斯股份公司 2024-05-14 — — CN disclosed
CN-111954665-B Novel lactone compounds and novel ether compounds 高砂香料工业株式会社 2023-08-15 — — CN disclosed
EP-3494103-B1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2021-10-06 — — EP disclosed
US-10913704-B2 2,3,7-trimethyloct-6-enyl acetate and 3,7-dimethyl-2-methylene-oct-6-enyl acetate and derivatives thereof and their use as aroma chemicals BASF SE 2021-02-09 — — US disclosed
US-20200190014-A1 2,3,7-TRIMETHYLOCT-6-ENYL ACETATE AND 3,7-DIMETHYL-2-METHYLENE-OCT-6-ENYL ACETATE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2020-06-18 — — US disclosed
CN-110167667-A Microcapsules 西姆莱斯股份公司 2019-08-23 — — CN disclosed
US-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS BASF CHEMICALS INDIA PVT. LTD. (IN) 2019-06-06 — — US disclosed
CN-109790092-A 1- methylol -1,2,2,6- tetramethyl-hexamethylene and its derivative and their purposes as aromachemicals 巴斯夫欧洲公司 2019-05-21 — — CN disclosed
US-6686396-B2 NO OFFENSIVE ODOR AND EXHIBIT EXCELLENT NOXIOUS-INSECT REPELLING EFFECT AND DURABILITY KANEBO, LTD. (JP) 2004-02-03 — — US disclosed
US-6677384-B1 CARBOCYCLIC ALCOHOLS SUCH AS 2-HYDROXYMETHYL-3,3,5-TRIMETHYL-CYCLOHEXANOL USED AS ODORLESS, DURABLE LOTIONS TO PREVENT DISEASES KANEBO, LTD. (JP) 2004-01-13 — — US disclosed
US-20020143070-A1 Noxious-insect repellent KANEBO, LTD. 2002-10-03 — — US disclosed
US-6372804-B1 HYDROXYALKYLCYCLOALKANOLS REPELLENTS KANEBO, LTD. (JP) 2002-04-16 — — US disclosed
US-6130255-A EXPOSING NOXIOUS INSECTS TO REPELLENT COMPRISING 2-(1-HYDROXYALKYL)-CYCLOALKANOLS HAVING NO OFFENSIVE ODOR KAO CORPORATION (JP) 2000-10-10 — — US disclosed
JP-H0672931-A P-MENTHANE-2-METHYL-3,8-DIOL AND P-MENTHANE-2-METHYLENE-3,8-DIOL KANEBO LTD 1994-03-15 — — JP disclosed
US-4137196-A SODIUM, POTASSIUM AND/OR AMMONIUM PHOSPHATES AND/OR CARBONATES KAO SOAP CO., LTD. (JP) 1979-01-30 — — US disclosed
US-4029709-A Process for the hydrogenation of citral to citronellal and of citronellal to citronellol using chromium-promoted Raney nickel catalyst RHODIA, INC. (US) 1977-06-14 — — US disclosed
US-3997610-A DISTILLATION, METAL BORATE RHONE-POULENC S.A. (FR) 1976-12-14 — — 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 (4 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-10913704-B2 2,3,7-trimethyloct-6-enyl acetate and 3,7-dimethyl-2-methylene-oct-6-enyl acetate and derivatives thereof and their use as aroma chemicals ACMSD, OR10J3, CRAT ALOX15 280/4885TSHR 2802/4885ALDH1A1 190/4885
US-20020143070-A1 Noxious-insect repellent OPRM1, OPRD1, L3MBTL1 ALOX15 641/4885TSHR 2456/4885ALDH1A1 1342/4885
US-20190169108-A1 1-HYDROXYMETHYL-1,2,2,6-TETRAMETHYL-CYCLOHEXANE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS TMT1A, CYP19A1, CYP51A1 ALOX15 603/4885TSHR 3508/4885ALDH1A1 13/4885
US-20200190014-A1 2,3,7-TRIMETHYLOCT-6-ENYL ACETATE AND 3,7-DIMETHYL-2-METHYLENE-OCT-6-ENYL ACETATE AND DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICALS ACMSD, OR10J3, CRAT ALOX15 280/4885TSHR 2802/4885ALDH1A1 190/4885

“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.