SCHEMBL1770331

SCHEMBL1770331

O=C(COc1ccc(C(F)(F)F)cn1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
HSD11B1 P28845 7/20 0.46
HSD11B2 P80365 2/20 0.46
HSP90AA1 P07900 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIPE Q05469 2/20 0.42

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
SCHEMBL13688853 0.94 HSD11B1 (0.50) EPHX2HSD11B1HSD11B2
SCHEMBL1770089 0.77 ALDH1A1 (0.51) EPHX2HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL1770009 0.76 PPARD (0.45) HSD11B1SMN1; SMN2
SCHEMBL20808089 0.75 MRGPRX4 (0.56) MRGPRX4SMN1; SMN2LIPE
SCHEMBL1770025 0.75 HSD11B1 (0.39) EPHX2HSD11B1HSD11B2SMN1; SMN2
SCHEMBL6084864 0.71 HSP90AA1 (0.50) EPHX2HSD11B1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL13333321 0.70 ALDH1A1 (0.48) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL1769934 0.70 HSD11B1 (0.61) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL1770383 0.69 ALDH1A1 (0.53) HSD11B1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL10848575 0.69 MRGPRX4 (0.49) MRGPRX4SMN1; SMN2LIPE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 EPHX2 292/4885HSD11B1 1/4885HSD11B2 2/4885

“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.