SCHEMBL6017579

SCHEMBL6017579

CCCC[CH]CCOCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LPAR3 Q9UBY5 3/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
LPAR2 Q9HBW0 2/20 0.31
LPAR1 Q92633 1/20 0.31

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
SCHEMBL27929101 0.91 TSHR (0.46) TSHRLPAR3LPAR2LPAR1
SCHEMBL10969082 0.91 TSHR (0.46) TSHRLPAR3LPAR2LPAR1
SCHEMBL979514 0.87 ALDH1A1 (0.45) TSHRALDH1A1
SCHEMBL329204 0.86 MEN1 (0.40) TSHRALDH1A1LPAR3LPAR2LPAR1
SCHEMBL4394433 0.85 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL5163112 0.84
SCHEMBL11105491 0.84 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL6344570 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9470760 0.81 HTT (0.50) TSHRALDH1A1
SCHEMBL9469818 0.81 HTT (0.50) TSHRALDH1A1

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
US-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2003-02-27 US claimed
EP-1249446-A2 Use of thio derivates as perfuming and flavoring ingredients FIRMENICH SA (CH) 2002-10-16 EP claimed
US-7008919-B2 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2006-03-07 US disclosed
US-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2003-02-27 US disclosed
EP-1249446-A2 Use of thio derivates as perfuming and flavoring ingredients FIRMENICH SA (CH) 2002-10-16 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 (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-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients TAS2R1, TAS2R4, TAS1R1 TSHR 1235/4885ALDH1A1 166/4885LPAR3 4037/4885

“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.