SCHEMBL712597

SCHEMBL712597

O=C(CCC(=O)CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
FFAR1 O14842 2/20 0.64
ALDH1A1 P00352 2/20 0.64
TDP1 Q9NUW8 2/20 0.60
TRPA1 O75762 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
MAPK1 P28482 1/20 0.58
ADRA1A P35348 1/20 0.58
HDAC4 P56524 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58

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
SCHEMBL497371 0.97 KEAP1 (0.73) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL107423 0.95 KEAP1 (0.70) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL5355399 0.93 KEAP1 (0.75) KEAP1FFAR1ALDH1A1TDP1TRPA1
Hydrochloric Acid SCHEMBL27872269 0.91 KEAP1 (0.72) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL8962348 0.89 ALDH1A1 (0.77) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL9765869 0.89 ALDH1A1 (0.64) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL12001993 0.89 KEAP1 (0.61) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL19561359 0.89 HDAC1 (0.69) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL26624571 0.89 KEAP1 (0.61) KEAP1FFAR1ALDH1A1TDP1TRPA1
SCHEMBL5598977 0.88 KEAP1 (0.67) KEAP1FFAR1ALDH1A1TDP1TRPA1

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 KEAP1 615/4885FFAR1 307/4885ALDH1A1 435/4885

“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.