SCHEMBL1634078

SCHEMBL1634078

C=C(C)COCCC(C)(C)OC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8965873 0.83
SCHEMBL675934 0.82
SCHEMBL8965480 0.80
SCHEMBL19917358 0.79 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL12301946 0.79 CES2 (0.44) ALDH1A1TSHRTDP1
SCHEMBL8103228 0.78
SCHEMBL1645821 0.77 ALDH1A1 (0.45) ALDH1A1TSHRTDP1
SCHEMBL24149509 0.76
SCHEMBL1645934 0.75 TSHR (0.32) ALDH1A1TSHRTDP1
SCHEMBL8966016 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
EP-2307429-B1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2018-02-28 EP disclosed
US-20170367388-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-12-28 US disclosed
US-20170367388-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-12-28 US disclosed
US-9756872-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-09-12 US disclosed
US-9756872-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-09-12 US disclosed
US-9756872-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-09-12 US disclosed
US-20150245641-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-09-03 US disclosed
US-20150245641-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-09-03 US disclosed
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-08 US disclosed
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-08 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
EP-2307429-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-04-13 EP disclosed
WO-2010002386-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-07 WO disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 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-20170367388-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS ACMSD, C1S, C5 ALDH1A1 1081/4885TSHR 3468/4885TDP1 4134/4885
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same ALDH1A1, ALDH5A1, ALDH3A1 ALDH1A1 1/4885TSHR 4516/4885TDP1 4289/4885
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials ACMSD, C1S, C5 ALDH1A1 1081/4885TSHR 3468/4885TDP1 4134/4885
US-20150245641-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS ACMSD, C1S, C5 ALDH1A1 1081/4885TSHR 3468/4885TDP1 4134/4885

“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.