SCHEMBL4582172

SCHEMBL4582172

C[C@@H](O)C[C@H](C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.63
TAAR1 Q96RJ0 3/20 0.54
AOC3 Q16853 2/20 0.48
LMNA P02545 3/20 0.48
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL2418955 1.00 TRPA1 (0.63) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL16702847 0.89 TRPA1 (0.68) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL11235771 0.87 TRPA1 (0.50) TRPA1ALDH1A1
SCHEMBL13335229 0.86 TRPA1 (0.63) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL7562754 0.86 TRPA1 (0.63) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL3672929 0.85 TRPA1 (0.67) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL16685763 0.84 TRPA1 (0.61) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL15093734 0.84 TRPA1 (0.61) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL11035088 0.84 TRPA1 (0.61) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL108142 0.83 CYP2C9 (0.50) TRPA1LMNAKDM4EADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900800-A2 4-phenyl-pentan-2-ol as odorous and aromatic substance Symrise GmbH & Co. KG (DE) 2008-03-19 EP disclosed
US-20080064625-A1 4-Phenylpentan-2-ol as a fragrance and flavouring SYMRISE GMBH & CO. KG (DE) 2008-03-13 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-20080064625-A1 4-Phenylpentan-2-ol as a fragrance and flavouring PNN, P4HA1, DPM1 TRPA1 11/4885TAAR1 660/4885AOC3 1253/4885

“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.