SCHEMBL9858424

SCHEMBL9858424

CC(C)(C=CC=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
KCNN4 O15554 4/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL31634133 0.79 MAPT (0.39) ALDH1A1MAPK1TRPA1LMNAALOX5
SCHEMBL7621951 0.79 SMN1; SMN2 (0.44) MAPK1LMNAMAPTKMT2ACYP2C19
SCHEMBL7621956 0.79 SMN1; SMN2 (0.44) MAPK1LMNAMAPTKMT2ACYP2C19
SCHEMBL95942 0.77 MAPK1 (0.41) ALDH1A1MAPK1KCNN4MAPTKMT2A
SCHEMBL95943 0.77 MAPK1 (0.41) ALDH1A1MAPK1KCNN4MAPTKMT2A
SCHEMBL8734963 0.77 KCNN4 (0.37) ALDH1A1MAPK1KCNN4MAPTKMT2A
SCHEMBL43182 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1LMNAKCNN4MAPT
SCHEMBL10382218 0.75 MAPK1 (0.42) ALDH1A1MAPK1KCNN4MAPTKMT2A
SCHEMBL21106745 0.74 KCNN4 (0.42) ALDH1A1MAPK1TRPA1LMNAALOX5
SCHEMBL27553138 0.74 ALDH1A1 (0.35) ALDH1A1MAPK1TRPA1LMNAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291849-B1 4-METHYL-4-PHENYL-PENTAN-1-ALS, THEIR PREPARATION AND APPLICATION AS AROMA CHEMICALS BASF Aktiengesellschaft (DE) 1991-10-16 EP claimed
EP-0291849-A2 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals BASF Aktiengesellschaft (DE) 1988-11-23 EP claimed
EP-0291849-B1 4-METHYL-4-PHENYL-PENTAN-1-ALS, THEIR PREPARATION AND APPLICATION AS AROMA CHEMICALS BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
EP-0291849-A2 4-Methyl-4-phenyl-pentan-1-als, their preparation and application as aroma chemicals BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed