Sugi Predict

Sugi Predict / Compounds / SCHEMBL7583479

SCHEMBL7583479

SCHEMBL7583479

CC(=O)OCCC(C)CCC=S

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.69
▸ PTPN1 P18031 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRNA10 Q9GZZ6 1/20 0.35
▸ CHRNA9 Q9UGM1 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL7552905 0.84 ALOX15 (0.70) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL25557425 0.83 ALOX15 (0.71) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL8007782 0.83 ALOX15 (0.71) ALOX15PTPN1ALDH1A1CHRM5CHRM1
Citronellyl Acetate SCHEMBL157075 0.81 ALOX15 (1.00) ALOX15PTPN1ALDH1A1TSHRUSP2
Citronellyl Acetate SCHEMBL20912959 0.81 ALOX15 (1.00) ALOX15PTPN1ALDH1A1TSHRUSP2
Citronellyl Acetate SCHEMBL1866109 0.81 ALOX15 (1.00) ALOX15PTPN1ALDH1A1TSHRUSP2
Citronellyl Acetate SCHEMBL2464823 0.79 ALOX15 (0.93) ALOX15PTPN1ALDH1A1TSHRUSP2
SCHEMBL21903087 0.77 ALOX15 (0.73) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL21903088 0.77 ALOX15 (0.73) ALOX15PTPN1ALDH1A1CHRM5CHRM1
SCHEMBL1300960 0.77 ALOX15 (0.73) ALOX15PTPN1ALDH1A1CHRM5CHRM1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000746-A1 New Cooling Agents and Preparations Containing Them SYMRISE AG (DE) 2024-01-04 — — US claimed
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 — — EP claimed
EP-2742983-A1 Method for isolating fragrance and flavour compounds Symrise AG (DE) 2014-06-18 — — EP claimed
US-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2024-04-11 — — US disclosed
US-20240000746-A1 New Cooling Agents and Preparations Containing Them SYMRISE AG (DE) 2024-01-04 — — US disclosed
WO-2023066457-A1 RUBUSOSIDE GLUCOSIDES SYMRISE AG (DE) 2023-04-27 — — WO disclosed
WO-2023066922-A1 RUBUSOSIDE GLUCOSIDES SYMRISE AG (DE) 2023-04-27 — — WO disclosed
WO-2023036404-A1 TASTE BALANCING BOTANICAL COMPOUNDS SYMRISE AG (DE) 2023-03-16 — — WO disclosed
US-10813378-B2 Substance mixtures SYMRISE AG (DE) 2020-10-27 — — US disclosed
US-20190321271-A1 CAPSULES WITH A HIGH ACTIVE INGREDIENT CONTENT SYMRISE AG (DE) 2019-10-24 — — US disclosed
US-20180338937-A1 PHARMACEUTICAL PREPARATIONS ANALYTICON DISCOVERY GMBH (DE) 2018-11-29 — — US disclosed
US-20170265511-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2017-09-21 — — US disclosed
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 — — EP disclosed
US-20170190727-A1 NOVEL MATERIAL MIXTURE CONTAINING RUBUSOSIDE OR ALPHA GLYCOSYLRUBUSOSIDE, FOR ENHANCING SWEET TASTE SYMRISE AG (DE) 2017-07-06 — — US disclosed
US-20170027823-A1 CAPSULES WITH A HIGH ACTIVE INGREDIENT CONTENT SYMRISE AG (DE) 2017-02-02 — — US disclosed
WO-2016106362-A1 LIQUID FABRIC CONDITIONING COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-06-30 — — WO disclosed
EP-2742983-A1 Method for isolating fragrance and flavour compounds Symrise AG (DE) 2014-06-18 — — EP disclosed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 — — EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 — — 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 (6 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-20170027823-A1 CAPSULES WITH A HIGH ACTIVE INGREDIENT CONTENT TYR, MKI67, GLA ALOX15 345/4885PTPN1 3369/4885ALDH1A1 737/4885
US-20170190727-A1 NOVEL MATERIAL MIXTURE CONTAINING RUBUSOSIDE OR ALPHA GLYCOSYLRUBUSOSIDE, FOR ENHANCING SWEET TASTE TAS2R40, TAS2R31, TAS2R38 ALOX15 4742/4885PTPN1 4644/4885ALDH1A1 1951/4885
US-20180338937-A1 PHARMACEUTICAL PREPARATIONS HSD11B1, CYP8B1, CYP26B1 ALOX15 18/4885PTPN1 3749/4885ALDH1A1 345/4885
US-20240000746-A1 New Cooling Agents and Preparations Containing Them TTPA, TREH, TAS2R45 ALOX15 2044/4885PTPN1 3398/4885ALDH1A1 1658/4885
US-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS TRPA1, TRPM5, TRPC5 ALOX15 98/4885PTPN1 3533/4885ALDH1A1 273/4885
US-20190321271-A1 CAPSULES WITH A HIGH ACTIVE INGREDIENT CONTENT TYR, MKI67, GLA ALOX15 373/4885PTPN1 3350/4885ALDH1A1 768/4885

“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.