SCHEMBL3857201

SCHEMBL3857201

CC1CCC(=O)C2(C)CC=CCC12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.51
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
SERPINA6 P08185 1/20 0.38
GUSB P08236 1/20 0.38
CYP3A4 P08684 1/20 0.38
G6PD P11413 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL3858743 0.79 CYP19A1 (0.45) CYP19A1
SCHEMBL901277 0.73 CYP19A1 (0.44) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL4816897 0.71 CYP19A1 (0.35) CYP19A1
SCHEMBL4199872 0.70 CYP19A1 (0.49) CYP19A1
SCHEMBL12883279 0.69 CYP19A1 (0.54) CYP19A1
SCHEMBL17299248 0.69 CYP19A1 (0.54) CYP19A1
SCHEMBL9306491 0.69 CYP19A1 (0.54) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL4584277 0.68 CYP19A1 (1.00) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL9965232 0.68 CYP19A1 (1.00) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL334388 0.68 CYP19A1 (1.00) CYP19A1MEN1LMNASHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 98/4885MEN1 3042/4885LMNA 2338/4885

“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.