SCHEMBL585515

SCHEMBL585515

CC(C=O)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.43
CTSK P43235 1/20 0.43
GRIK1 P39086 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
SCHEMBL18019604 0.90 FDFT1 (0.54) CYP2D6ALDH1A1CYP1A2
SCHEMBL9285880 0.88 ALDH1A1 (0.50) CYP2C9CYP2C19KMT2AHPGDALDH1A1
SCHEMBL1976468 0.88 ALDH1A1 (0.50) CYP2C9CYP2C19KMT2AHPGDALDH1A1
SCHEMBL13061753 0.81 MAOB (0.46) SIGMAR1ALDH1A1
SCHEMBL5410684 0.81 SIGMAR1 (0.43) SIGMAR1CYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL8398246 0.81 SIGMAR1 (0.43) SIGMAR1CYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL19189399 0.80 KMT2A (0.45) CYP2C9CYP2C19KMT2ACYP2D6LMNA
SCHEMBL9819985 0.80 SIGMAR1 (0.48) SIGMAR1SMN1; SMN2KCNH2GRIK1
SCHEMBL7436816 0.79 SIGMAR1 (0.42) SIGMAR1CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL1828574 0.78 SMN1; SMN2 (0.52) SIGMAR1SMN1; SMN2KCNH2CTSKGRIK1

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 115 patents — showing the first 20. 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-20110165065-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKLINIKUM (DE) 2011-07-07 US 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
US-20070072789-A1 2-Methyl-5-phenylpentanal used as a rose odoriferous substance SYMRISE GMBH & CO. KG (DE) 2007-03-29 US claimed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US 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
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 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
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO 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 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-4731617-A1 USE OF DIHYDROPYRAN DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2026-04-29 EP disclosed
EP-4728447-A1 ENVIRONMENTAL ATTRIBUTES FOR AROMA CHEMICAL BASF SE (DE) 2026-04-22 EP disclosed
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients BASF SE (DE) 2026-02-17 US disclosed
US-12492355-B2 2,4-diethylocta-2,6-dienal and its use as aroma chemical BASF SE (DE) 2025-12-09 US disclosed
US-4837201-A 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
US-4837201-A 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SIGMAR1 521/4885CYP2C9 689/4885CYP2C19 387/4885
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients EBP, OR10J3, ADRA1D SIGMAR1 59/4885CYP2C9 2165/4885CYP2C19 1181/4885
US-20110165065-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS KLK3, ACP3, KLK5 SIGMAR1 2580/4885CYP2C9 4820/4885CYP2C19 4512/4885

“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.