SCHEMBL5478656

SCHEMBL5478656

CC(C=O)Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
TYR P14679 2/20 0.37
ERN1 O75460 2/20 0.35
SRC P12931 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CNR2 P34972 1/20 0.32

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
P-Cymene SCHEMBL23296191 0.83 TP53 (0.54) TP53TSHRTYRBCHEACHE
SCHEMBL29724084 0.80 LMNA (0.50) TYRERN1SRCTRPA1LMNA
SCHEMBL10338935 0.80 LMNA (0.50) TYRERN1SRCTRPA1LMNA
SCHEMBL29487262 0.80 TSHR (0.61) TP53TSHRTYRLMNA
SCHEMBL1148 0.80 TSHR (0.61) TP53TSHRTYRLMNA
SCHEMBL16268509 0.77 TP53 (0.49) TP53TSHRTYRBCHEACHE
SCHEMBL31412800 0.74 TP53 (0.63) TP53TSHR
SCHEMBL227153 0.74 TP53 (0.63) TP53TSHR
SCHEMBL605235 0.73 TYR (0.58) TP53TSHRTYRERN1TRPA1
SCHEMBL2400864 0.71 TSHR (0.51) TP53TSHRTYRERN1LMNA

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
US-20140322156-A1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO. KGAA (DE) 2014-10-30 US claimed
US-20140322156-A1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO. KGAA (DE) 2014-10-30 US disclosed
US-20070256252-A1 Fabric Treatment for Stain Release CASELLA VICTOR M 2007-11-08 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 (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-20140322156-A1 PROCESS FOR REDUCING MALODOURS ALDH7A1, ACMSD, MAL2 TP53 3326/4885TSHR 4414/4885TYR 28/4885

“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.