SCHEMBL1645934

SCHEMBL1645934

COC(C)(C)CCOCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
CYP2C19 P33261 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PTGS1 P23219 1/20 0.30
THRB P10828 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL26439795 0.93
SCHEMBL26439737 0.87
SCHEMBL12301946 0.83 CES2 (0.44) TSHRTDP1ALDH1A1
SCHEMBL1644006 0.82 TSHR (0.36) TSHRTDP1ALDH1A1
SCHEMBL22681405 0.82 ALDH1A1 (0.36) TSHRTDP1ALDH1A1THRB
SCHEMBL15111048 0.80 TSHR (0.35) TSHRTDP1SMN1; SMN2EPHX2CTH
SCHEMBL23482623 0.80 EPHX2 (0.33) SMN1; SMN2EPHX2PTGS1
SCHEMBL22389094 0.79 TSHR (0.32) TSHRCTHCBSTHPOTHRB
SCHEMBL13368910 0.78 VCAM1 (0.30)
SCHEMBL13471978 0.77 HMGCR (0.34) TSHRTDP1EPHX2CYP2C19FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234988-B2 Fluorohydroxyproline derivatives useful in the preparation of proteolysis targeted chimeras UNIVERSITY OF DUNDEE (GB) 2022-02-01 US 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
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
EP-2279754-B1 Remodelling and glycoconjugation of human growth hormone (hGH) RATIOPHARM GMBH (DE) 2014-08-13 EP disclosed
EP-2298354-B1 Remodelling and glycoconjugation of interferon-beta RATIOPHARM GMBH (DE) 2014-03-19 EP 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
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP 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 (5 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 TSHR 3468/4885TDP1 4134/4885ALDH1A1 1081/4885
US-20110217245-A1 Substituted Butanol Derivatives And Their Use As Fragrance And Flavor Materials ACMSD, C1S, C5 TSHR 3468/4885TDP1 4134/4885ALDH1A1 1081/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR TSHR 239/4885TDP1 2943/4885ALDH1A1 1851/4885
US-11234988-B2 Fluorohydroxyproline derivatives useful in the preparation of proteolysis targeted chimeras RNF114, CUL1, MDM2 TSHR 3242/4885TDP1 1942/4885ALDH1A1 4000/4885
US-20150245641-A1 SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS ACMSD, C1S, C5 TSHR 3468/4885TDP1 4134/4885ALDH1A1 1081/4885

“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.