SCHEMBL24433004

SCHEMBL24433004

C/C=C/CC1CCCCCCCCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA4 P22748 5/20 0.42
CA6 P23280 4/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.36
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
HTT P42858 2/20 0.34
OPRK1 P41145 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
SCHEMBL24829920 0.98 NOS1 (0.45) KMT2ANOS1NOS2CA1CA2
SCHEMBL18224272 0.98 NOS1 (0.45) KMT2ANOS1NOS2CA1CA2
SCHEMBL23781877 0.80 NPC1 (0.38) KMT2ACA1CA2CA4CA6
SCHEMBL23781934 0.80 NPC1 (0.38) KMT2ACA1CA2CA4CA6
SCHEMBL10751088 0.79 CA1 (0.42) KMT2ACA1CA2CA4CA6
SCHEMBL23781905 0.78 CA1 (0.38) KMT2ACA1CA2CA4CA6
SCHEMBL23781906 0.78 CA1 (0.38) KMT2ACA1CA2CA4CA6
SCHEMBL5064686 0.77 NOS1 (0.44) KMT2ANOS1NOS2CA1CA2
SCHEMBL7157465 0.77 NOS1 (0.44) KMT2ANOS1NOS2CA1CA2
SCHEMBL10502755 0.77 NOS1 (0.44) KMT2ANOS1NOS2CA1CA2

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 4 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-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
US-20220153671-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE KAO CORPORATION (JP) 2022-05-19 US 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 (3 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-20220153671-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE ADH1A, ADH1C, ADH5 KMT2A 4586/4885NOS1 1055/4885NOS2 1380/4885
US-20220153672-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE AKR1C3, PYM1, AKR1A1 KMT2A 4031/4885NOS1 402/4885NOS2 595/4885
US-11685705-B2 Method for producing α-allylated cycloalkanone AKR1C3, GALK1, PYM1 KMT2A 4012/4885NOS1 370/4885NOS2 562/4885

“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.