SCHEMBL6444908

SCHEMBL6444908

C[C@]12C=C[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)Oc3ccccc3)CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRD5A2 P31213 5/20 0.38
SRD5A1 P18405 5/20 0.38
G6PD P11413 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL6446938 1.00 MEN1 (0.40) MEN1KMT2ACYP19A1MAPTTP53
SCHEMBL6443353 0.89 MEN1 (0.39) MEN1KMT2AMAPTTP53CYP3A4
SCHEMBL6447177 0.89 MEN1 (0.39) MEN1KMT2AMAPTTP53CYP3A4
SCHEMBL3692709 0.88 KMT2A (0.41) MEN1KMT2ACYP19A1SMN1; SMN2SRD5A2
SCHEMBL6443171 0.87 MEN1 (0.40) MEN1KMT2AMAPTTP53CYP3A4
SCHEMBL6441599 0.87 MEN1 (0.40) MEN1KMT2AMAPTTP53CYP3A4
SCHEMBL6446726 0.86 CYP2C9 (0.40) MEN1KMT2AMAPTCYP3A4G6PD
SCHEMBL6444178 0.86 CYP2C9 (0.40) MEN1KMT2AMAPTCYP3A4G6PD
SCHEMBL6439906 0.83 CYP3A4 (0.40) MEN1KMT2ACYP19A1MAPTTP53
SCHEMBL6446950 0.83 CYP3A4 (0.40) MEN1KMT2ACYP19A1MAPTTP53

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 2320/4885CYP19A1 42/4885

“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.