SCHEMBL3861664

SCHEMBL3861664

CC1CCC2(C)C(O)CCC(C)C2C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.47
LMNA P02545 3/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SERPINA6 P08185 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 5/20 0.39

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
SCHEMBL8592422 0.79 SHBG (0.50) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL6284974 0.79 SHBG (0.43) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL20008783 0.78 SHBG (0.42) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL3856204 0.74 SHBG (0.41) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL12883266 0.72 SHBG (0.46) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL3857214 0.72 CYP3A4 (0.41) LMNACYP3A4CYP2C19KMT2ACYP19A1
SCHEMBL15104107 0.72 NR1H4 (0.36) GPBAR1CYP1A2
SCHEMBL3857138 0.69
SCHEMBL3857642 0.69 SHBG (0.31) SHBG
SCHEMBL20327079 0.68 SHBG (0.59) SHBGLMNAGPBAR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029510-B1 PATCHOULI ODORANT FIRMENICH & CIE (CH) 2013-07-17 EP claimed
EP-2029510-B1 PATCHOULI ODORANT FIRMENICH & CIE (CH) 2013-07-17 EP disclosed
US-7592492-B2 Contains perhydro-4-ethyl-8,8a-dimethyl-1-naphthalenol FIRMENICH SA (CH) 2009-09-22 US 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 2206/4885LMNA 2338/4885GPBAR1 979/4885

“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.