SCHEMBL6441540

SCHEMBL6441540

CCO[C@@H]1C=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)OC)CC[C@@H]32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
NR1I2 O75469 2/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP17A1 P05093 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VDR P11473 2/20 0.38
HIF1A Q16665 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CYP19A1 P11511 1/20 0.37
SRD5A2 P31213 1/20 0.37
G6PD P11413 1/20 0.37

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
SCHEMBL6448565 1.00 CYP3A4 (0.39) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6442641 0.92 CYP3A4 (0.39) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6441605 0.92 CYP3A4 (0.39) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6442484 0.91 MEN1 (0.39) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6442230 0.91 MEN1 (0.39) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6443061 0.90 MEN1 (0.38) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6444181 0.90 MEN1 (0.38) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6444030 0.88 LMNA (0.38) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6443327 0.88 LMNA (0.38) CYP3A4CYP2C9NR1I2LMNANR3C1
SCHEMBL6442035 0.87 CYP3A4 (0.41) CYP3A4CYP2C9NR1I2LMNANR3C1

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 CYP3A4 144/4885CYP2C9 468/4885NR1I2 175/4885

“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.