SCHEMBL6804965

SCHEMBL6804965

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.35
GPBAR1 Q8TDU6 10/20 0.35
NR3C1 P04150 1/20 0.34
CYP19A1 P11511 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
SLC10A1 Q14973 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
AR P10275 3/20 0.31

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
SCHEMBL497582 1.00 SHBG (0.35) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL4438158 1.00 SHBG (0.35) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL6000815 0.86 SHBG (0.47) SHBGGPBAR1CYP19A1ESR1ESR2
SCHEMBL6446959 0.82 GPBAR1 (0.43) SHBGGPBAR1NR3C1CYP19A1AR
SCHEMBL6434159 0.82 GPBAR1 (0.43) SHBGGPBAR1NR3C1CYP19A1AR
SCHEMBL497888 0.82 GPBAR1 (0.43) SHBGGPBAR1NR3C1CYP19A1AR
SCHEMBL497753 0.81 GPBAR1 (0.34) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL5524700 0.81 GPBAR1 (0.34) SHBGGPBAR1NR3C1CYP19A1NR1H4
SCHEMBL497527 0.81 G6PD (0.46) SHBGGPBAR1NR3C1CYP19A1SLC10A1
SCHEMBL5488565 0.81 G6PD (0.46) SHBGGPBAR1NR3C1CYP19A1SLC10A1

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-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 BIOVIE INC. 2004-05-20 US disclosed

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-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 SHBG 44/4885GPBAR1 313/4885NR3C1 22/4885

“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.