SCHEMBL1645008

SCHEMBL1645008

COC(C)(C)CCOC(=O)COC(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 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
SCHEMBL19917353 0.90 ALDH1A1 (0.36) TDP1ALDH1A1LMNACYP3A4
SCHEMBL1645979 0.82 CA2 (0.36) TDP1ALDH1A1
SCHEMBL12189970 0.79 TDP1 (0.40) TDP1ALDH1A1LMNA
SCHEMBL1645932 0.77 ALDH1A1 (0.34) TDP1ALDH1A1
SCHEMBL1645011 0.76 TDP1 (0.32) TDP1ALDH1A1LMNA
SCHEMBL1645899 0.76 ALDH1A1 (0.33) TDP1ALDH1A1LMNACYP3A4
SCHEMBL136377 0.76 NAAA (0.45) TDP1ALDH1A1LMNA
SCHEMBL19333212 0.76 ADRA2A (0.34) TDP1ALDH1A1
SCHEMBL14609942 0.75 ALDH1A1 (0.38) TDP1ALDH1A1LMNACYP3A4
SCHEMBL28616620 0.74 DGKA (0.48) TDP1ALDH1A1LMNACYP3A4

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 17 patents. 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 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-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 TDP1 4134/4885ALDH1A1 1081/4885LMNA 1301/4885
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials ACMSD, C1S, C5 TDP1 4134/4885ALDH1A1 1081/4885LMNA 1301/4885
US-20150245641-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS ACMSD, C1S, C5 TDP1 4134/4885ALDH1A1 1081/4885LMNA 1301/4885

“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.