SCHEMBL24723643

SCHEMBL24723643

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
AOC3 Q16853 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL27081817 0.80 RIPK1 (0.36) RIPK1CYP2D6CYP2C19ALDH1A1CYP3A4
SCHEMBL28077691 0.79 CYP2D6 (0.39) RIPK1CYP2D6KMT2ALMNAATM
SCHEMBL11476137 0.76 CYP2D6 (0.41) RIPK1CYP2D6CYP2C19KMT2ALMNA
SCHEMBL28825924 0.76 CYP2D6 (0.37) RIPK1CYP2D6CYP2C19KMT2ALMNA
SCHEMBL10433996 0.73 CYP2C19 (0.37) RIPK1CYP2D6CYP2C19KMT2AHTR2A
SCHEMBL1716440 0.73 CYP2D6 (0.43) CYP2D6CYP2C19ALDH1A1CYP3A4KMT2A
SCHEMBL3262986 0.73 CYP2D6 (0.34) RIPK1CYP2D6CYP2C19KMT2ALMNA
SCHEMBL3242284 0.72 AOC3 (0.48) RIPK1CYP2D6ALDH1A1CYP3A4LMNA
SCHEMBL9258177 0.72 DPP4 (0.41) RIPK1CYP2C19ALDH1A1LMNATAAR1
SCHEMBL22030767 0.72 ATM (0.45) RIPK1CYP2D6CYP2C19ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199519-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2024-06-20 US disclosed
EP-4313927-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2024-02-07 EP disclosed
EP-4313924-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES BASF SE (DE) 2024-02-07 EP disclosed
CN-117120407-A Aryl/alkenyl pentenal derivatives as fragrance chemicals 巴斯夫欧洲公司 2023-11-24 CN disclosed
CN-117120406-A Dialkyl pentene ether and dialkyl pentadiene ether derivatives as fragrances 巴斯夫欧洲公司 2023-11-24 CN disclosed
WO-2022207642-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES BASF SE (DE) 2022-10-06 WO disclosed
WO-2022207642-A1 DIALKYLPENTENE ETHER AND DIALKYLPENTADIENE ETHER DERIVATIVES AS FRAGRANCES BASF SE (DE) 2022-10-06 WO disclosed
WO-2022207636-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2022-10-06 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-20240199519-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS AHR, ARNT, TRPA1 RIPK1 3980/4885CYP2D6 95/4885CYP2C19 414/4885

“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.