SCHEMBL560468

SCHEMBL560468

CC(O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL2571201 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL10472566 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL10473806 0.94 TRPA1 (0.51) CYP2D6CYP2C9CYP2C19KMT2ASIGMAR1
SCHEMBL560219 0.94 TRPA1 (0.51) CYP2D6CYP2C9CYP2C19KMT2ASIGMAR1
SCHEMBL16058107 0.94 TRPA1 (0.51) CYP2D6CYP2C9CYP2C19KMT2ASIGMAR1
SCHEMBL4590802 0.92 TRPA1 (0.54) SIGMAR1
SCHEMBL10037075 0.92 TRPA1 (0.54) SIGMAR1
SCHEMBL10366146 0.89 POLB (0.53) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL11167774 0.89 POLB (0.53) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL8719636 0.88 FDFT1 (0.54) CYP2D6LMNAHDAC2

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 365 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116037099-A Composite catalyst, preparation method thereof and method for preparing olefin by alcohol dehydration 中国石油化工股份有限公司 2023-05-02 CN claimed
WO-2023030740-A1 AEROSOLSPRAY BEIERSDORF AG (DE) 2023-03-09 WO claimed
EP-4140594-A1 AEROSOLSPRAY Beiersdorf AG (DE) 2023-03-01 EP claimed
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
EP-4076124-A1 METHODS FOR CLEANING AND CARING FOR AN AUTOMATIC DISHWASHER Henkel AG & Co. KGaA (DE) 2022-10-26 EP claimed
WO-2022122143-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2022-06-16 WO claimed
EP-3958826-A1 DEODORANT OR ANTIPERSPIRANT COMPOSITION CONTAINING A CALCIUM OR LACTATE DONOR Beiersdorf AG (DE) 2022-03-02 EP claimed
EP-3914685-A1 MULTI-COMPONENT CLEANING SYSTEM Henkel AG & Co. KGaA (DE) 2021-12-01 EP claimed
US-20210348088-A1 Multi-Component Cleaning System HENKEL AG & CO. KGAA (DE) 2021-11-11 US claimed
US-20210324307-A1 Multi-Component Cleaning System HENKEL AG & CO. KGAA (DE) 2021-10-21 US claimed
WO-2006128506-A2 AGENT FOR USE IN DISHWASHERS AND DEVICE FOR THE DOSED INTRODUCTION THEREOF DURING THE RINSING AND DRYING PHASES BELL FLAVORS & FRAGRANCES DUFT UND AROMA GMBH (DE) 2006-12-07 WO claimed
US-20060182697-A1 Composition for treating keratin fibers, comprising at least one aromatic alcohol, at least one aromatic carboxylic acid, and at least one protecting agent L'OREAL S.A. (FR) 2006-08-17 US claimed
EP-1688127-A1 Hair treatment composition containing an aromatic alcohol, an aromatic carboxylic acid a protecting agent L'OREAL (FR) 2006-08-09 EP claimed
WO-1993014053-A1 PROCESS FOR THE PREPARATION OF 1,3,5-TRIS(4'-HYDROXYARYL)BENZENE HOECHST CELANESE CORPORATION (US) 1993-07-22 WO claimed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US claimed
EP-0090526-B1 SUBSTITUTED DODECAHYDROTRIPHENYLENES, DECAHYDRO-1H-CYCLOPENTA(1)PHENANTHRENES, DECAHYDRO-1H-PYRIDO(1,2-F)PHENANTHRIDINES AND DECAHYDROPYRROLO(1,2-F)PHENANTHRIDINES AS CNS AGENTS PFIZER INC. (US) 1986-11-26 EP claimed
EP-0078145-B1 RESOLUTION OF RACEMIC 5-PHENYL-2-PENTANOL PFIZER INC. (US) 1986-07-30 EP claimed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US claimed
EP-0090526-A1 Substituted dodecahydrotriphenylenes, decahydro-1H-cyclopenta(1)phenanthrenes, decahydro-1H-pyrido(1,2-f)phenanthridines and decahydropyrrolo(1,2-f)phenanthridines as CNS agents PFIZER INC. (US) 1983-10-05 EP claimed
EP-0078145-A1 Resolution of racemic 5-phenyl-2-pentanol PFIZER INC. (US) 1983-05-04 EP claimed

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-20060182697-A1 Composition for treating keratin fibers, comprising at least one aromatic alcohol, at least one aromatic carboxylic acid, and at least one protecting agent KRT18, TYR, ADH1C CYP2D6 2513/4885CYP2C9 1499/4885CYP2C19 2638/4885

“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.