SCHEMBL4234013

SCHEMBL4234013

C=CC(C)CCC[C](C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31

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
SCHEMBL3389593 0.84
SCHEMBL29883 0.84
SCHEMBL31512393 0.82 ALDH1A1 (0.38) PTPN1
SCHEMBL28157372 0.79
SCHEMBL28327389 0.78
SCHEMBL23576313 0.77 TSHR (0.47)
SCHEMBL19006673 0.76
SCHEMBL20526071 0.75
SCHEMBL8338114 0.74 MEN1 (0.41)
SCHEMBL29192 0.74 MEN1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US claimed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
EP-1023260-B1 PROCESS FOR PREPARING BETA-KETOESTER FRAGRANCE PRO-ACCORDS FROM 1,3-DIOXAN-4,6-DIONES PROCTER & GAMBLE (US) 2004-01-28 EP claimed
US-6500797-B1 Process for preparing β-ketoester fragrance pro-accords from 1,3-dioxan-4,6-diones THE PROCTER & GAMBLE COMPANY 2002-12-31 US claimed
EP-1023260-A1 PROCESS FOR PREPARING BETA-KETOESTER FRAGRANCE PRO-ACCORDS FROM 1,3-DIOXAN-4,6-DIONES THE PROCTER & GAMBLE COMPANY (US) 2000-08-02 EP claimed
WO-1999016740-A1 PROCESS FOR PREPARING BETA-KETOESTER FRAGRANCE PRO-ACCORDS FROM 1,3-DIOXAN-4,6-DIONES THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO claimed
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US disclosed
WO-2020251227-A1 NOVEL CROSS-LINKING COMPOUND AND POLYMER PREPARED USING SAME 주식회사 엘지화학 2020-12-17 WO disclosed
CN-111936457-A Enol ether pro-fragrances 弗门尼舍有限公司 2020-11-13 CN disclosed
US-10806683-B2 Encapsulated perfume compositions GIVAUDAN SA (CH) 2020-10-20 US disclosed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP disclosed
WO-1998007811-A2 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007405-A1 FRAGRANCE DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007455-A1 ODOR CONTROL COMPOSITIONS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007814-A2 FRAGRANCE DELIVERY SYSTEM FOR LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007810-A2 HAND-WASH LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007813-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998006803-A1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS THE PROCTER & GAMBLE COMPANY (US) 1998-02-19 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 (2 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-11802258-B2 Perfume precursor CYP2E1, ADH1A, CYP1A1 PTPN1 4180/4885
US-20210214644-A1 PERFUME PRECURSOR CYP2E1, ADH1A, CYP1A1 PTPN1 4180/4885

“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.