SCHEMBL16640729

SCHEMBL16640729

C/C(=C\CO)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UGT1A1 P22309 1/20 0.41
PTPN1 P18031 1/20 0.33

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
SCHEMBL27610491 0.76
SCHEMBL27463576 0.76
SCHEMBL11767856 0.75 ALOX15 (0.37) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL11767852 0.75 ALOX15 (0.37) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL1660622 0.75 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL1660623 0.75 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL4306769 0.74 ALOX15 (0.37) ALOX15KMT2A
SCHEMBL4306767 0.74 ALOX15 (0.37) ALOX15KMT2A
SCHEMBL27884828 0.74 ALOX15 (0.37) ALOX15KMT2A
SCHEMBL790399 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105460-A1 LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF SU WEIWEI (CN) 2015-04-16 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 (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-20150105460-A1 LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF NASP, GSDMD, DRD5 MEN1 821/4885CYP3A4 989/4885ALOX15 16/4885

“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.