SCHEMBL585945

SCHEMBL585945

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KEAP1 Q14145 1/20 0.45
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
SLC13A5 Q86YT5 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL18085386 0.96 ALDH1A1 (0.47) ALDH1A1KEAP1GRM2GRM3SLC13A5
SCHEMBL11050995 0.89 HDAC3 (0.48) ALDH1A1GRM2GRM3SMN1; SMN2HDAC2
SCHEMBL22337581 0.87 ALDH1A1 (0.50) ALDH1A1KEAP1GRM2GRM3SMN1; SMN2
SCHEMBL11267395 0.87 MEN1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL6778470 0.85 HDAC3 (0.48) ALDH1A1GRM2GRM3SMN1; SMN2HDAC2
SCHEMBL7166564 0.82 KEAP1 (0.47) ALDH1A1KEAP1GRM2GRM3SLC13A5
SCHEMBL16672977 0.82 KCNN4 (0.44) ALDH1A1SMN1; SMN2RIPK1MAPTPOLB
SCHEMBL20745227 0.81 ALDH1A1 (0.44) ALDH1A1KEAP1GRM2GRM3SMN1; SMN2
SCHEMBL18085387 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HDAC2HDAC8HDAC6
SCHEMBL11049302 0.81 HPGD (0.48) ALDH1A1GRM2GRM3SMN1; SMN2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP disclosed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US disclosed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP disclosed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 ALDH1A1 17/4885KEAP1 354/4885GRM2 1444/4885

“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.