SCHEMBL721041

SCHEMBL721041

CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
MAPT P10636 5/20 0.74
RAB9A P51151 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
NPC1 O15118 2/20 0.74
MAPK1 P28482 1/20 0.74
STAT3 P40763 1/20 0.74
STAT1 P42224 1/20 0.74
ALDH1A1 P00352 5/20 0.65
LMNA P02545 3/20 0.65
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
MAOB P27338 1/20 0.59
CYP2A6 P11509 1/20 0.58
HPGD P15428 4/20 0.57
PKM P14618 2/20 0.56
HTT P42858 2/20 0.56
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL55409 1.00 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ATDP1NPC1
Bromide SCHEMBL28439252 0.97 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL28567567 0.95 SMN1; SMN2 (0.68) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL15908247 0.92 ALDH1A1 (0.80) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL19143299 0.92 ALDH1A1 (0.80) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL1271569 0.92 SMN1; SMN2 (0.67) SMN1; SMN2MAPTRAB9ATDP1NPC1
Acetophenone SCHEMBL445080 0.90 CES2 (0.71) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL9103511 0.90 SMN1; SMN2 (0.81) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL29047779 0.88 SMN1; SMN2 (0.61) SMN1; SMN2MAPTRAB9ATDP1NPC1
Propene SCHEMBL5210863 0.88 MAPT (0.61) SMN1; SMN2MAPTRAB9ATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124578-B2 Use of dynamic mixtures for a controlled release of fragrances FIRMENICH SA (CH) 2012-02-28 US disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 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-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES TRPA1, HCN1, HCN4 SMN1; SMN2 3248/4885MAPT 1790/4885RAB9A 3745/4885

“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.