SCHEMBL3857564

SCHEMBL3857564

CC1CCC(=O)C2(C)CCCCC12

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.49

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
SCHEMBL17299248 0.87 CYP19A1 (0.54) CYP19A1
SCHEMBL12883279 0.87 CYP19A1 (0.54) CYP19A1
SCHEMBL9418504 0.85 CYP19A1 (0.46) CYP19A1
SCHEMBL9418511 0.85 CYP19A1 (0.46) CYP19A1
SCHEMBL3860325 0.78 CYP19A1 (0.46) CYP19A1
SCHEMBL3859094 0.77 CYP19A1 (0.46) CYP19A1
SCHEMBL178322 0.75 CYP19A1 (0.53) CYP19A1
SCHEMBL103226 0.75 CYP19A1 (0.53) CYP19A1
SCHEMBL13261222 0.75 CYP19A1 (0.53) CYP19A1
SCHEMBL18590954 0.74 CYP19A1 (0.39) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029510-B1 PATCHOULI ODORANT FIRMENICH & CIE (CH) 2013-07-17 EP disclosed
CN-101448771-B Patchouli odorant FIRMENICH & CIE 2012-03-21 CN disclosed
US-7592492-B2 Contains perhydro-4-ethyl-8,8a-dimethyl-1-naphthalenol FIRMENICH SA (CH) 2009-09-22 US disclosed
CN-101448771-A Patchouli odorant FIRMENICH & CIE (CH) 2009-06-03 CN disclosed
US-20090130043-A1 Contains perhydro-4-ethyl-8,8a-dimethyl-1-naphthalenol FIRMENICH SA, PPON 2009-05-21 US disclosed
EP-2029510-A1 PATCHOULI ODORANT Firmenich SA (CH) 2009-03-04 EP disclosed
WO-2007135582-A1 PATCHOULI ODORANT FIRMENICH SA (CH) 2007-11-29 WO 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-20090130043-A1 Contains perhydro-4-ethyl-8,8a-dimethyl-1-naphthalenol CYP8B1, CPT1A, HPGD CYP19A1 98/4885

“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.