SCHEMBL4094508

SCHEMBL4094508

CC(C)C(=O)O.COc1cc(C)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
BLM P54132 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
MAOB P27338 1/20 0.48
GSK3B P49841 1/20 0.48
BACE1 P56817 1/20 0.48
CXCL12 P48061 1/20 0.48
HSD17B2 P37059 2/20 0.47
CSNK2A1 P68400 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Acetic Acid SCHEMBL4091903 0.87 HTT (0.59) TSHRBLMNPSR1HTTSLC22A6
SCHEMBL15092857 0.86 TSHR (0.54) TSHRBLMNPSR1HTTSLC22A6
SCHEMBL16913399 0.86 HTT (0.58) TSHRBLMNPSR1HTTSLC22A6
SCHEMBL17629436 0.85 MAOB (0.64) TSHRHTTSLC22A6SLC22A8MEN1
SCHEMBL29819084 0.85 MAOB (0.64) TSHRHTTSLC22A6SLC22A8MEN1
SCHEMBL92236 0.85 MAOB (0.64) TSHRHTTSLC22A6SLC22A8MEN1
3-Methylbutanoic Acid SCHEMBL4085197 0.84 GAA (0.53) TSHRBLMNPSR1HTTSLC22A6
SCHEMBL15093416 0.84 TSHR (0.48) TSHRBLMNPSR1HTTSLC22A6
Formaldehyde SCHEMBL10355974 0.83 MAOB (0.57) TSHRBLMNPSR1HTTSLC22A6
Bromide SCHEMBL31123050 0.83 MAOB (0.61) TSHRHTTSLC22A6SLC22A8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP claimed
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US 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-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 TSHR 4345/4885BLM 3716/4885NPSR1 3207/4885

“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.