SCHEMBL6444372

SCHEMBL6444372

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 3/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
CYP17A1 P05093 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRK1 P41145 1/20 0.37
G6PD P11413 4/20 0.36
PMP22 Q01453 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 2/20 0.35
GABRP O00591 1/20 0.35

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
SCHEMBL6445468 1.00 KMT2A (0.39) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6443859 0.94 LMNA (0.39) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6442202 0.94 LMNA (0.39) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6446930 0.93 LMNA (0.41) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6445679 0.93 LMNA (0.41) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6446950 0.92 CYP3A4 (0.40) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6442680 0.92 CYP3A4 (0.40) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6439906 0.92 CYP3A4 (0.40) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6448520 0.89 CYP3A4 (0.38) KMT2AMEN1CYP3A4LMNACYP2C9
SCHEMBL6444245 0.89 CYP3A4 (0.38) KMT2AMEN1CYP3A4LMNACYP2C9

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 KMT2A 2320/4885MEN1 2269/4885CYP3A4 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.