SCHEMBL2440950

SCHEMBL2440950

CC(=O)/C(C)=C/c1cccc(C)c1.CCc1cccc(/C=C(\C)C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
SLC9A1 P19634 1/20 0.40
SLC9A3 P48764 1/20 0.40
SLC9A2 Q9UBY0 1/20 0.40
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
AKR1C3 P42330 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL2440953 1.00 TBXAS1 (0.41) TBXAS1SLC9A1SLC9A3SLC9A2HDAC4
SCHEMBL2439459 0.87 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TDP1TP53
SCHEMBL2439456 0.87 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TDP1TP53
SCHEMBL27832652 0.87 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TDP1TP53
SCHEMBL13287355 0.87 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2TDP1TP53
SCHEMBL20424877 0.81 AKR1C3 (0.59) TBXAS1SLC9A1SLC9A3SLC9A2HDAC4
SCHEMBL5487857 0.81 AKR1C3 (0.59) TBXAS1SLC9A1SLC9A3SLC9A2HDAC4
SCHEMBL28893987 0.79 KMT2A (0.50) TBXAS1SLC9A1SLC9A3SLC9A2TDP1
SCHEMBL29421062 0.79 KMT2A (0.50) TBXAS1SLC9A1SLC9A3SLC9A2TDP1
SCHEMBL2440954 0.79 RAB9A (0.37) SLC9A1SLC9A3SLC9A2HDAC4MEF2D

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 3 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

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-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TBXAS1 633/4885SLC9A1 3012/4885SLC9A3 2501/4885

“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.