SCHEMBL3858370

SCHEMBL3858370

CC(=O)OC1CCC(C)C2CC(C)CC(C)C12C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.33
PAX8 Q06710 2/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3857214 0.76 CYP3A4 (0.41) CYP3A4
SCHEMBL3857642 0.72 SHBG (0.31)
SCHEMBL13240225 0.71 SHBG (0.40) CYP3A4
SCHEMBL4816914 0.71 CYP17A1 (0.33) ABCB1CYP3A4
SCHEMBL15103946 0.70 GRM2 (0.31)
SCHEMBL12883265 0.66 CYP19A1 (0.43) CYP3A4
SCHEMBL11161495 0.65 TSHR (0.37) ABCB1PAX8CYP3A4
SCHEMBL23569446 0.64 TSHR (0.36) ABCB1PAX8CYP3A4
SCHEMBL6712439 0.64 CYP3A4 (0.41) PAX8CYP3A4
SCHEMBL2158606 0.62 ALOX5 (0.32) PAX8CYP3A4

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

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

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 ABCB1 1061/4885PAX8 600/4885CYP3A4 197/4885

“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.