SCHEMBL9920198

SCHEMBL9920198

CC(C)C1[C@@H]2CC3C[C@H]1CC(O)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
HSD11B1 P28845 14/20 0.38
HSD11B2 P80365 2/20 0.36
SLC22A2 O15244 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32

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
SCHEMBL25509293 1.00 EPHX2 (0.40) EPHX2HSD11B1HSD11B2SLC22A2SLC47A1
SCHEMBL12968026 0.78 HSD11B1 (0.40) EPHX2HSD11B1HSD11B2
SCHEMBL10234486 0.78 HSD11B1 (0.40) EPHX2HSD11B1HSD11B2
SCHEMBL482354 0.75 HSD11B1 (0.39) EPHX2HSD11B1HSD11B2
SCHEMBL16448448 0.74 SLC22A2 (0.32) SLC22A2SLC47A1
SCHEMBL12308339 0.74 SLC22A2 (0.32) SLC22A2SLC47A1
SCHEMBL13126723 0.74 SLC22A2 (0.32) SLC22A2SLC47A1
SCHEMBL13126722 0.74 SLC22A2 (0.32) SLC22A2SLC47A1
SCHEMBL25509281 0.74 GRIN1 (0.50) SLC22A2SLC47A1
SCHEMBL25509289 0.74 SLC22A2 (0.32) SLC22A2SLC47A1

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 EPHX2 2695/4885HSD11B1 1810/4885HSD11B2 2066/4885

“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.