SCHEMBL5199259

SCHEMBL5199259

CC1C=CCCC12CCCC(C)(C)C2=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.32
ACHE P22303 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
SCHEMBL21001389 0.85 LIG1 (0.33) LIG1ACHE
SCHEMBL22614840 0.72 LIG1 (0.31) LIG1
SCHEMBL5200877 0.70 LIG1 (0.32) LIG1ACHE
SCHEMBL21001032 0.70 LIG1 (0.32) LIG1ACHE
SCHEMBL5200793 0.68 LIG1 (0.32) LIG1ACHE
SCHEMBL15083749 0.67 CYP19A1 (0.32)
SCHEMBL506194 0.66 ACHE (0.41) LIG1ACHE
SCHEMBL24475286 0.66 CYP3A4 (0.33) LIG1
SCHEMBL5200872 0.66 CYP3A4 (0.33) LIG1
SCHEMBL5202819 0.65 LIG1 (0.30) LIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411110-B1 Spiro compounds as perfuming ingredients FIRMENICH & CIE (CH) 2007-08-22 EP claimed
US-7256170-B2 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2007-08-14 US claimed
EP-1411110-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-21 EP claimed
US-20040072721-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-15 US claimed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO disclosed
EP-1411110-B1 Spiro compounds as perfuming ingredients FIRMENICH & CIE (CH) 2007-08-22 EP disclosed
US-7256170-B2 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2007-08-14 US disclosed
EP-1411110-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-21 EP disclosed
US-20040072721-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-15 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-20040072721-A1 Spiro compounds as perfuming ingredients SORD, PIR, AKR1C4 LIG1 3962/4885ACHE 1585/4885

“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.