SCHEMBL1645932

SCHEMBL1645932

CCOCC(=O)OCCC(C)(C)OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL1645011 0.88 TDP1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL1644985 0.86 GAA (0.39) ALDH1A1TSHRTDP1MGAMGAA
SCHEMBL1645911 0.84 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL1645979 0.83 CA2 (0.36) ALDH1A1TSHRTDP1
SCHEMBL136377 0.81 NAAA (0.45) ALDH1A1TSHRTDP1MGAMGAA
SCHEMBL13368910 0.79 VCAM1 (0.30)
SCHEMBL21016158 0.79 GAA (0.34) ALDH1A1TSHRTHRBMGAMGAA
SCHEMBL134437 0.78 DGKA (0.42) ALDH1A1TSHRTDP1
SCHEMBL1645008 0.77 TDP1 (0.33) ALDH1A1TDP1
SCHEMBL19333212 0.77 ADRA2A (0.34) ALDH1A1TSHRTDP1

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 22 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-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-04-13 EP claimed
WO-2010002386-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-07 WO 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
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-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 ALDH1A1 1081/4885TSHR 3468/4885TDP1 4134/4885
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.