SCHEMBL1644081

SCHEMBL1644081

C=CCOCCC(C)(C)OC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL27979116 0.83 MEN1 (0.41) MEN1POLBKMT2A
SCHEMBL21496192 0.81 MEN1 (0.39) MEN1POLBKMT2A
SCHEMBL6422584 0.79 MEN1 (0.45) MEN1POLBKMT2AALDH1A1
SCHEMBL1645881 0.79 ALDH1A1 (0.31) MEN1POLBKMT2AALDH1A1TSHR
SCHEMBL1647033 0.78 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL1645821 0.78 ALDH1A1 (0.45) ALDH1A1TSHRTDP1
SCHEMBL21727228 0.78 CA1 (0.42)
SCHEMBL1644959 0.77 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL1645873 0.77 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL4455825 0.76 MEN1 (0.42) MEN1POLBKMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307429-B1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2018-02-28 EP claimed
US-9060535-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US claimed
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-08 US claimed
EP-2307429-B1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2018-02-28 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-9060535-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9060535-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9060535-B2 Substituted butanol derivatives and their use as fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 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-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-08 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

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-20170367388-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS ACMSD, C1S, C5 MEN1 3221/4885POLB 2663/4885KMT2A 3982/4885
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials ACMSD, C1S, C5 MEN1 3221/4885POLB 2663/4885KMT2A 3982/4885
US-20150245641-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS ACMSD, C1S, C5 MEN1 3221/4885POLB 2663/4885KMT2A 3982/4885

“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.