SCHEMBL646716

SCHEMBL646716

C=C1C2CCC(C2)C1(C)CCC=O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.63

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
SCHEMBL646715 1.00 CNR2 (0.63) CNR2
SCHEMBL10709155 1.00 CNR2 (0.63) CNR2
SCHEMBL29825458 0.83 CNR2 (0.70) CNR2
SCHEMBL649517 0.83 CNR2 (0.70) CNR2
SCHEMBL15396893 0.83 CNR2 (0.70) CNR2
SCHEMBL31055753 0.83 CNR2 (0.70) CNR2
SCHEMBL1129539 0.83 CNR2 (0.70) CNR2
SCHEMBL648778 0.83 CNR2 (0.70) CNR2
SCHEMBL19327397 0.81 CNR2 (0.77) CNR2
SCHEMBL30256039 0.81 CNR2 (0.77) CNR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267111-A Process for preparing β-(3-exo-hydroxy-endo-2,3-dimethyl-2-norbornyl)-propionic acid .delta. FRITZSCHE DODGE & OLCOTT INC. (US) 1981-05-12 US claimed
EP-2726447-B1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL FIRMENICH & CIE (CH) 2015-08-12 EP disclosed
EP-2726447-B1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL FIRMENICH & CIE (CH) 2015-08-12 EP disclosed
US-9056826-B2 Process for the preparation of beta-santalol FIRMENICH SA (CH) 2015-06-16 US disclosed
US-9056826-B2 Process for the preparation of beta-santalol FIRMENICH SA (CH) 2015-06-16 US disclosed
US-9056826-B2 Process for the preparation of beta-santalol FIRMENICH SA (CH) 2015-06-16 US disclosed
EP-2675776-B1 INTERMEDIATES FOR THE PREPARATION OF BETA-SANTALOL FIRMENICH & CIE (CH) 2015-04-08 EP disclosed
US-8822733-B2 Intermediates for the preparation of beta-santalol FIRMENICH SA (CH) 2014-09-02 US disclosed
US-8822733-B2 Intermediates for the preparation of beta-santalol FIRMENICH SA (CH) 2014-09-02 US disclosed
US-8822733-B2 Intermediates for the preparation of beta-santalol FIRMENICH SA (CH) 2014-09-02 US disclosed
US-20110118497-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH SA 2011-05-19 US disclosed
US-7902393-B2 Process for the preparation of β-santalol and derivatives thereof FIRMENICH SA (CH) 2011-03-08 US disclosed
EP-2282985-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF Firmenich SA (CH) 2011-02-16 EP disclosed
US-20110028750-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH SA (CH) 2011-02-03 US disclosed
WO-2009141781-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF FIRMENICH SA (CH) 2009-11-26 WO disclosed
EP-0148399-B1 POLYCYCLIC ALCOHOL, PROCESS FOR ITS PREPARATION, ITS USE AS SMELLING INGREDIENT, AND COMPOSITION CONTAINING IT FIRMENICH SA (CH) 1988-01-13 EP disclosed
EP-0148399-A2 Polycyclic alcohol, process for its preparation, its use as smelling ingredient, and composition containing it FIRMENICH SA (CH) 1985-07-17 EP disclosed
US-4267111-A Process for preparing β-(3-exo-hydroxy-endo-2,3-dimethyl-2-norbornyl)-propionic acid .delta. FRITZSCHE DODGE & OLCOTT INC. (US) 1981-05-12 US disclosed
US-4223167-A Processes for preparing β-santalol, β-santalene dihydro-β-santalol and related compounds FRITZSCHE DODGE & OLCOTT INC. (US) 1980-09-16 US disclosed
EP-0010213-A2 Bicyclo-compounds, processes for their preparation and their application BASF Aktiengesellschaft (DE) 1980-04-30 EP 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-20110028750-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF SQLE, EBP, CYP17A1 CNR2 937/4885
US-20110118497-A1 PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF EBP, C9, DEGS1 CNR2 1537/4885

“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.