SCHEMBL6804088

SCHEMBL6804088

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.47
NR1H4 Q96RI1 2/20 0.47
CYP1B1 Q16678 1/20 0.43
CYP19A1 P11511 1/20 0.40
G6PD P11413 2/20 0.39
SLC10A1 Q14973 1/20 0.37
NR3C1 P04150 1/20 0.37
LMNA P02545 3/20 0.35
CYP3A4 P08684 3/20 0.35
SHBG P04278 2/20 0.35
SERPINA6 P08185 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B3 P37058 1/20 0.35
PMP22 Q01453 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 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
SCHEMBL4584464 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL6804898 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL6804861 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL6839236 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL4584460 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL4585242 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL6802156 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL4593287 1.00 GPBAR1 (0.47) GPBAR1NR1H4CYP1B1CYP19A1G6PD
SCHEMBL11970319 0.85 NR3C1 (0.53) GPBAR1NR1H4G6PDSLC10A1NR3C1
SCHEMBL11970322 0.85 NR3C1 (0.53) GPBAR1NR1H4G6PDSLC10A1NR3C1

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 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-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 GPBAR1 313/4885NR1H4 41/4885CYP1B1 184/4885

“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.