SCHEMBL1834441

SCHEMBL1834441

CC(C)(CCC=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AOX1 Q06278 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL9858653 0.83 TSHR (0.47) HIF1AMAPTKMT2AALDH1A1HDAC1
SCHEMBL9340362 0.83 CYP2C19 (0.39) TAAR1CYP2C19HIF1AMAPK1MAPT
SCHEMBL9858398 0.82 TSHR (0.43) MAPTKMT2AALDH1A1HTT
SCHEMBL1832904 0.80 MEN1 (0.36) MAPK1MAPTKMT2AHTT
SCHEMBL6823447 0.80 SHBG (0.52) KMT2AALDH1A1ESR1CYP3A4ESR2
SCHEMBL3368788 0.79 TAAR1 (0.64) TAAR1CYP2C19HIF1AMAPK1MAPT
SCHEMBL10865897 0.79 TAAR1 (0.48) TAAR1CYP2C19HIF1AMAPK1MAPT
SCHEMBL3225345 0.79 TAAR1 (0.48) TAAR1CYP2C19HIF1AMAPK1MAPT
SCHEMBL4454569 0.79 TAAR1 (0.44) TAAR1CYP2C19HIF1AKMT2AALDH1A1
SCHEMBL11034545 0.78 KIF11 (0.48) CYP2C19ADH1BADH1CADH1AADH7

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 28 patents — showing the first 20. 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
US-4837201-A 4-Methyl-4-phenyl-1-pentanals, their preparation and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US 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
WO-2024204738-A1 METHOD FOR PRODUCING 1,1-DIMETHYL-1,2-DIHYDRONAPHTHALENE 持田製薬株式会社 2024-10-03 WO disclosed
CN-112041361-B Stabilized polyurea microcapsule compositions 国际香料和香精公司 2023-06-30 CN disclosed
CN-112041361-A Stabilized polyurea microcapsule compositions 国际香料和香精公司 2020-12-04 CN disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
EP-0314003-B1 PROCESS FOR THE PREPARATION OF 1-ARYL ALKENES-1 BASF Aktiengesellschaft (DE) 1991-08-21 EP disclosed
US-4929786-A DEHYDRATION, ARYLPHOSPHITE CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 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
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-0314003-A2 Process for the preparation of 1-aryl alkenes-1 BASF Aktiengesellschaft (DE) 1989-05-03 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
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 (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-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TAAR1 25/4885CYP2C19 70/4885HIF1A 687/4885

“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.