SCHEMBL8222908

SCHEMBL8222908

CC/C(=C\C(C)C)C(C)OC(C)(C)COC(=O)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
TDP1 Q9NUW8 2/20 0.31
LIPE Q05469 2/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL10321994 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL18228941 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL18228940 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL18228936 0.96 MAPT (0.35) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL8219271 0.96 MAPT (0.35) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL18228935 0.96 MAPT (0.35) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL8222724 0.96 MAPT (0.35) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL692443 0.83 ADRB2 (0.33) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL31412820 0.83 ADRB2 (0.33) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL8223325 0.83 ADRB2 (0.33) ADRB2ADRB1ADRB3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065969-A9 Odour Compounds GIVAUDAN SA (CH) 2013-03-14 US disclosed
US-20130065969-A9 Odour Compounds GIVAUDAN SA (CH) 2013-03-14 US 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
US-20120184630-A1 Odour Compounds KRAFT PHILIP (CH) 2012-07-19 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
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 ADRB2 543/4885ADRB1 527/4885ADRB3 945/4885
US-20120184630-A1 Odour Compounds PRMT9, PRMT5, PRMT1 ADRB2 543/4885ADRB1 527/4885ADRB3 945/4885

“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.