SCHEMBL1966385

SCHEMBL1966385

CC(C)OC(=O)C(C)C(C)S

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 1/20 0.34
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA1A P35348 1/20 0.30
PDE4D Q08499 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
SCHEMBL28965299 0.83 TSHR (0.53) TSHRHCAR2CA12CA1CA2
SCHEMBL8720824 0.78 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL9999821 0.78 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL10329468 0.78 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL10280094 0.78
SCHEMBL682227 0.78 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL2134686 0.78
SCHEMBL5077477 0.78 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL1969774 0.76
SCHEMBL8019158 0.76 TSHR (0.46) TSHRHCAR2CA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334201-B1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2016-07-27 EP disclosed
US-8445051-B2 Thiol-containing fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-21 US disclosed
US-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
EP-2334201-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-06-22 EP disclosed
WO-2010042938-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-04-15 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 (1 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-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAS1R1, TAS2R1, TAS2R5 TSHR 2813/4885HCAR2 2309/4885CA12 1720/4885

“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.