SCHEMBL901277

SCHEMBL901277

CC1=CCC2(C)C(=O)CCC(C)C2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.44
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
SERPINA6 P08185 1/20 0.39
GUSB P08236 1/20 0.39
CYP3A4 P08684 1/20 0.39
G6PD P11413 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL4812573 0.80 CYP19A1 (0.40) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL9258403 0.78 CYP19A1 (0.39) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL9258399 0.78 CYP19A1 (0.39) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL9258408 0.78 CYP19A1 (0.39) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL4809709 0.78 CYP19A1 (0.42) CYP19A1
SCHEMBL3857201 0.73 CYP19A1 (0.51) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL4809438 0.71 CYP19A1 (0.33) CYP19A1
SCHEMBL12883279 0.70 CYP19A1 (0.54) CYP19A1
SCHEMBL17299248 0.70 CYP19A1 (0.54) CYP19A1
SCHEMBL3857564 0.69 CYP19A1 (0.49) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378383-B2 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2008-05-27 US claimed
EP-1605035-B1 Perfuming ingredients of the woody type FIRMENICH & CIE (CH) 2007-09-19 EP claimed
EP-1605035-A1 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2005-12-14 EP claimed
US-20050272632-A1 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2005-12-08 US claimed
EP-2622051-B1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2014-07-09 EP disclosed
US-8697626-B2 4,4-dimethyl-decal-1-one or -1-OL derivatives as perfuming ingredients FIRMENICH SA (CH) 2014-04-15 US disclosed
EP-2622051-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS Firmenich SA (CH) 2013-08-07 EP disclosed
US-20130190218-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA 2013-07-25 US disclosed
EP-2029510-B1 PATCHOULI ODORANT FIRMENICH & CIE (CH) 2013-07-17 EP disclosed
WO-2012041820-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-04-05 WO 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
US-7378383-B2 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2008-05-27 US disclosed
EP-1605035-B1 Perfuming ingredients of the woody type FIRMENICH & CIE (CH) 2007-09-19 EP disclosed
EP-1605035-A1 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2005-12-14 EP disclosed
US-20050272632-A1 Perfuming ingredients of the woody type FIRMENICH SA (CH) 2005-12-08 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 (2 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
US-20050272632-A1 Perfuming ingredients of the woody type QDPR, DCXR, CBR3 CYP19A1 1470/4885MEN1 3885/4885LMNA 1442/4885

“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.