SCHEMBL585306

SCHEMBL585306

CC(CC1CCCC(C)(C)C1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP1A2 P05177 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ARG1 P05089 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32

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
SCHEMBL24520200 0.82 SLC1A2 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL24520195 0.82 SLC1A2 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL18050391 0.78 LTA4H (0.44) SLC1A3SLC1A2SLC1A1
SCHEMBL19815021 0.78 LTA4H (0.41) CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL13285738 0.78 LTA4H (0.44) SLC1A3SLC1A2SLC1A1
SCHEMBL17276053 0.78 LTA4H (0.44) SLC1A3SLC1A2SLC1A1
SCHEMBL10138774 0.78 LTA4H (0.41) CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL13005942 0.78 LTA4H (0.41) CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL7794348 0.76 LTA4H (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL5326239 0.76 LTA4H (0.46) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 IDO1 3818/4885TDO2 1829/4885CYP1A2 7/4885

“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.