SCHEMBL2042008

SCHEMBL2042008

C/C=C(\C)C(C)C1CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
KMT2A Q03164 1/20 0.38
ACE P12821 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2042009 1.00 CYP2D6 (0.40) CYP2D6CA1CA2CA4KMT2A
SCHEMBL2037723 0.80 CYP2D6 (0.41) CYP2D6CA1CA2CA4KMT2A
SCHEMBL18220751 0.78 ACE (0.54) CYP2D6CA1CA2CA4KMT2A
SCHEMBL14809033 0.76 CYP2D6 (0.44) CYP2D6CA1CA2CA4KMT2A
SCHEMBL10734273 0.75 CA1 (0.46) CYP2D6CA1CA2CA4KMT2A
SCHEMBL6913491 0.74 CA1 (0.50) CYP2D6CA1CA2CA4KMT2A
SCHEMBL7064883 0.74 CA1 (0.50) CYP2D6CA1CA2CA4KMT2A
SCHEMBL919145 0.74 CA1 (0.50) CYP2D6CA1CA2CA4KMT2A
SCHEMBL9518399 0.74 CYP2D6 (0.49) CYP2D6CA1CA2CA4KMT2A
SCHEMBL7632295 0.73 KMT2A (0.48) CYP2D6CA1CA2CA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685705-B2 Method for producing α-allylated cycloalkanone KAO CORPORATION (JP) 2023-06-27 US disclosed
US-20220153672-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE KAO CORPORATION (JP) 2022-05-19 US disclosed
EP-3943476-A1 METHOD FOR PRODUCING alpha- ALLYLATED CYCLOALKANONE Kao Corporation (JP) 2022-01-26 EP disclosed
WO-2020189670-A1 METHOD FOR PRODUCING α – ALLYLATED CYCLOALKANONE 花王株式会社 2020-09-24 WO disclosed
WO-2011073843-A1 ODORANT ALCOHOLS FIRMENICH SA (CH) 2011-06-23 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 (2 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-20220153672-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE AKR1C3, PYM1, AKR1A1 CYP2D6 401/4885CA1 2286/4885CA2 2777/4885
US-11685705-B2 Method for producing α-allylated cycloalkanone AKR1C3, GALK1, PYM1 CYP2D6 442/4885CA1 2387/4885CA2 2857/4885

“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.