SCHEMBL3857642

SCHEMBL3857642

CC1CC(C)C2(C)C(O)CCC(C)C2C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SHBG P04278 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
SCHEMBL3858370 0.72 ABCB1 (0.33)
SCHEMBL3861664 0.69 SHBG (0.47) SHBG
SCHEMBL9787757 0.60
SCHEMBL3856204 0.59 SHBG (0.41) SHBG
SCHEMBL12088742 0.59
SCHEMBL11249491 0.58
SCHEMBL16383092 0.57
SCHEMBL16383089 0.57
SCHEMBL16383090 0.57
SCHEMBL14154430 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029510-B1 PATCHOULI ODORANT FIRMENICH & CIE (CH) 2013-07-17 EP 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
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 SHBG 2206/4885

“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.