SCHEMBL6434159

SCHEMBL6434159

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.43
SHBG P04278 3/20 0.43
SERPINA6 P08185 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
CYP19A1 P11511 1/20 0.43
MGAM O43451 1/20 0.43
SRD5A2 P31213 1/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41

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
SCHEMBL497888 1.00 GPBAR1 (0.43) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL6446959 1.00 GPBAR1 (0.43) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL3842363 0.85 GPBAR1 (0.59) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL11516238 0.85 GPBAR1 (0.59) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL6577636 0.85 GPBAR1 (0.59) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL6804965 0.82 SHBG (0.35) GPBAR1SHBGNR3C1ARCYP19A1
SCHEMBL4438158 0.82 SHBG (0.35) GPBAR1SHBGNR3C1ARCYP19A1
SCHEMBL497582 0.82 SHBG (0.35) GPBAR1SHBGNR3C1ARCYP19A1
SCHEMBL497634 0.79 G6PD (0.61) GPBAR1SHBGSERPINA6CYP3A4HSD17B10
SCHEMBL5530806 0.77 GPBAR1 (0.69) GPBAR1SHBGSERPINA6CYP3A4HSD17B10

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 3 patents. 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 disclosed
US-20050075321-A1 Neurological disorder treatment methods BIOVIE INC. 2005-04-07 US disclosed
EP-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 EP 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 (2 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-20050075321-A1 Neurological disorder treatment methods HSD17B1, HSD17B3, HSD3B1 GPBAR1 649/4885SHBG 157/4885SERPINA6 78/4885
US-20050159366-A1 Pharmaceutical compositions and treatment methods - 8 HSD17B7, NR5A1, HSD3B1 GPBAR1 174/4885SHBG 37/4885SERPINA6 60/4885

“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.