SCHEMBL2422370

SCHEMBL2422370

C=CCCC(C)(O)C1CC=C(C)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.39
STAT3 P40763 1/20 0.39
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2425831 0.90 CYP3A4 (0.34) CYP3A4MEN1ALOX15MAPK1KMT2A
SCHEMBL2424472 0.81 OSBP (0.34) CYP3A4MEN1ALOX15MAPK1KMT2A
SCHEMBL2422397 0.79 LMNA (0.33) CYP3A4MEN1ALOX15MAPK1KMT2A
SCHEMBL2424376 0.75
SCHEMBL12324739 0.75 NR3C1 (0.33) LMNA
SCHEMBL2424856 0.75 LMNA (0.31) LMNA
SCHEMBL2422520 0.75
SCHEMBL2425327 0.75 LMNA (0.41) LMNA
SCHEMBL12324738 0.75 LMNA (0.41) LMNA
SCHEMBL17627662 0.72 CYP3A4 (0.72) CYP3A4MEN1ALOX15MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445732-B2 Organic compounds GIVAUDAN SA (CH) 2013-05-21 US claimed
EP-2252674-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-09-07 EP claimed
US-20100331427-A1 Organic Compounds GIVAUDAN SA (CH) 2010-12-30 US claimed
EP-2252674-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-11-24 EP claimed
WO-2009100554-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 WO claimed
US-8445732-B2 Organic compounds GIVAUDAN SA (CH) 2013-05-21 US disclosed
US-8445732-B2 Organic compounds GIVAUDAN SA (CH) 2013-05-21 US disclosed
US-8445732-B2 Organic compounds GIVAUDAN SA (CH) 2013-05-21 US disclosed
EP-2252674-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-09-07 EP disclosed
EP-2252674-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-09-07 EP disclosed
US-20100331427-A1 Organic Compounds GIVAUDAN SA (CH) 2010-12-30 US disclosed
US-20100331427-A1 Organic Compounds GIVAUDAN SA (CH) 2010-12-30 US disclosed
EP-2252674-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-11-24 EP disclosed
WO-2009100554-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 WO disclosed
WO-2009100554-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-08-20 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 (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-20100331427-A1 Organic Compounds C9, C5, CBR3 CYP3A4 33/4885MEN1 2813/4885ALOX15 462/4885

“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.