SCHEMBL8219271

SCHEMBL8219271

CCC(=CC(C)C)C(C)OC(C)(C)COC(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
GAA P10253 3/20 0.32
LIPE Q05469 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL18228936 1.00 MAPT (0.35) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL18228935 1.00 MAPT (0.35) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL8222724 1.00 MAPT (0.35) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL8222908 0.96 ADRB2 (0.36) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL18228940 0.96 ADRB2 (0.36) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL10321994 0.96 ADRB2 (0.36) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL18228941 0.96 ADRB2 (0.36) MAPTADRB2ADRB1ADRB3MEN1
SCHEMBL692443 0.86 ADRB2 (0.33) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL31412820 0.86 ADRB2 (0.33) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL8223325 0.86 ADRB2 (0.33) MAPTADRB2ADRB1ADRB3ALDH1A1

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
US-20180078666-A1 RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-03-22 US claimed
US-20130065969-A9 Odour Compounds GIVAUDAN SA (CH) 2013-03-14 US claimed
US-20120184630-A1 Odour Compounds KRAFT PHILIP (CH) 2012-07-19 US claimed
EP-2475639-A2 ODOUR COMPOUNDS Givaudan SA (CH) 2012-07-18 EP claimed
WO-2011029895-A2 ODOUR COMPOUNDS GIVAUDAN SA (CH) 2011-03-17 WO claimed
US-10576179-B2 Relating to organic compounds Givaudan, S.A. (CH) 2020-03-03 US disclosed
US-20180078666-A1 RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-03-22 US disclosed
EP-3294347-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2018-03-21 EP disclosed
WO-2016180893-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-11-17 WO disclosed
US-20130065969-A9 Odour Compounds GIVAUDAN SA (CH) 2013-03-14 US disclosed
US-20120184630-A1 Odour Compounds KRAFT PHILIP (CH) 2012-07-19 US disclosed
EP-2475639-A2 ODOUR COMPOUNDS Givaudan SA (CH) 2012-07-18 EP disclosed
WO-2011029895-A2 ODOUR COMPOUNDS GIVAUDAN SA (CH) 2011-03-17 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 (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-20130065969-A9 Odour Compounds PRMT9, PRMT5, PRMT1 MAPT 3368/4885ADRB2 543/4885ADRB1 527/4885
US-20120184630-A1 Odour Compounds PRMT9, PRMT5, PRMT1 MAPT 3368/4885ADRB2 543/4885ADRB1 527/4885

“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.