SCHEMBL27081817

SCHEMBL27081817

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.36
CYP2C19 P33261 4/20 0.35
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
TRPA1 O75762 3/20 0.33
LMNA P02545 2/20 0.33
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL24723643 0.80 RIPK1 (0.35) RIPK1CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL28077691 0.75 CYP2D6 (0.39) RIPK1CYP2D6LMNAHTR2ATAAR1
SCHEMBL10602004 0.72 TRPA1 (0.33) RIPK1CYP2D6TRPA1LMNAHTR2A
SCHEMBL28825924 0.72 CYP2D6 (0.37) RIPK1CYP2C19CYP2D6TSHRLMNA
SCHEMBL11476137 0.72 CYP2D6 (0.41) RIPK1CYP2C19CYP2D6LMNA
SCHEMBL6795917 0.71 RIPK1 (0.39) RIPK1CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL1716440 0.69 CYP2D6 (0.43) CYP2C19CYP2D6CYP3A4LMNAALDH1A1
SCHEMBL3262986 0.69 CYP2D6 (0.34) RIPK1CYP2C19CYP2D6LMNAHTR2A
SCHEMBL10433996 0.69 CYP2C19 (0.37) RIPK1CYP2C19CYP2D6HTR2ATAAR1
SCHEMBL6841869 0.67 RIPK1 (0.39) RIPK1CYP2C19CYP3A4TSHRLMNA

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 3 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
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 3980/4885CYP2C19 414/4885CYP2D6 95/4885

“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.