SCHEMBL2439459

SCHEMBL2439459

CC(=O)C(C)=Cc1cccc(C)c1.CC(=O)C(C)=Cc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
SLC9A3 P48764 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
AKR1C3 P42330 1/20 0.47
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FBP1 P09467 1/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL13287355 1.00 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL2439456 1.00 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL27832652 1.00 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL2440953 0.87 TBXAS1 (0.41) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL2440950 0.87 TBXAS1 (0.41) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL7824296 0.87 AKR1C3 (0.66) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL820380 0.87 AKR1C3 (0.66) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL27789210 0.81 LMNA (0.45) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL5427466 0.81 TP53 (0.48) SLC9A1SLC9A3SLC9A2TP53TDP1
SCHEMBL9476020 0.80 GLO1 (0.50) TP53TDP1NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 SLC9A1 3012/4885SLC9A3 2501/4885SLC9A2 2558/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 SLC9A1 3012/4885SLC9A3 2501/4885SLC9A2 2558/4885

“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.