SCHEMBL6444197

SCHEMBL6444197

CCCCOC(=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 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.41
AR P10275 3/20 0.41
PGR P06401 2/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP19A1 P11511 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL6445404 0.96 LMNA (0.46) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL6442617 0.94 MEN1 (0.44) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL6436575 0.91 CYP3A4 (0.46) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL5897208 0.91 CYP3A4 (0.46) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL6443645 0.86 MEN1 (0.46) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL23630698 0.83 CYP17A1 (0.48) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL7196987 0.83 CYP17A1 (0.48) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL7196993 0.83 CYP17A1 (0.48) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL8342869 0.83 CYP17A1 (0.48) LMNAKMT2AMEN1MAPTCYP3A4
SCHEMBL8347257 0.83 CYP17A1 (0.48) LMNAKMT2AMEN1MAPTCYP3A4

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 LMNA 4071/4885KMT2A 2320/4885MEN1 2269/4885

“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.