SCHEMBL6443645

SCHEMBL6443645

COC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 4/20 0.43
LMNA P02545 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
NR1I2 O75469 2/20 0.43
NR3C1 P04150 1/20 0.43
CYP17A1 P05093 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
TSHR P16473 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPT P10636 1/20 0.43
SRD5A1 P18405 3/20 0.43
CYP19A1 P11511 2/20 0.43
SRD5A2 P31213 2/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL23630698 0.89 CYP17A1 (0.48) MEN1KMT2ACYP3A4LMNACYP17A1
SCHEMBL7196987 0.89 CYP17A1 (0.48) MEN1KMT2ACYP3A4LMNACYP17A1
SCHEMBL8342869 0.89 CYP17A1 (0.48) MEN1KMT2ACYP3A4LMNACYP17A1
SCHEMBL7196993 0.89 CYP17A1 (0.48) MEN1KMT2ACYP3A4LMNACYP17A1
SCHEMBL8347257 0.89 CYP17A1 (0.48) MEN1KMT2ACYP3A4LMNACYP17A1
SCHEMBL6436575 0.89 CYP3A4 (0.46) MEN1KMT2ACYP3A4LMNACYP2C9
SCHEMBL5897208 0.89 CYP3A4 (0.46) MEN1KMT2ACYP3A4LMNACYP2C9
SCHEMBL6444134 0.87 MEN1 (0.44) MEN1KMT2ASRD5A1SRD5A2
SCHEMBL6442617 0.87 MEN1 (0.44) MEN1KMT2ACYP3A4LMNACYP2C9
SCHEMBL11329429 0.87 AR (0.42) MEN1KMT2ACYP3A4LMNACYP2C9

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-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 BIOVIE INC. 2005-07-21 US claimed

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-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 HSD17B7, NR5A1, HSD3B1 MEN1 2269/4885KMT2A 2320/4885CYP3A4 144/4885

“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.