SCHEMBL3364225

SCHEMBL3364225

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccoc3)CC[C@]12O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 9/20 0.74
ATP1B1 P05026 9/20 0.74
ATP1A3 P13637 9/20 0.74
ATP1B2 P14415 9/20 0.74
ATP1A2 P50993 9/20 0.74
ATP1B3 P54709 9/20 0.74
FXYD2 P54710 9/20 0.74
ATP1A4 Q13733 9/20 0.74
CYP3A4 P08684 3/20 0.74
CYP3A5 P20815 2/20 0.74
AR P10275 1/20 0.74
ZFP91 Q96JP5 1/20 0.74
PAX8 Q06710 2/20 0.61
ATP12A P54707 2/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
NPC1 O15118 1/20 0.61

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
SCHEMBL7286202 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12057551 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7286487 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL27272363 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL15101776 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12038720 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3364229 1.00 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7279978 0.89 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7279990 0.89 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7287032 0.89 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
EP-0576915-B1 cyclopentanperhydrophenanthren-17beta-(3-furyl)-3-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders SIGMA TAU IND FARMACEUTI (IT) 1997-04-16 EP disclosed
US-5593982-A SUCH AS HEART FAILURE AND HYPERTENSION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1997-01-14 US disclosed
EP-0590489-B1 New cyclopentanperhydrophenanthren-17beta-(hydroxy or alkoxy)-17alpha-(aryl or heterocyclyl)-3beta-derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1996-12-11 EP disclosed
US-5432169-A Cyclopentanperhydrophenanthren-17β-(3-furyl)-3-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1995-07-11 US disclosed
EP-0590489-A2 New cyclopentanperhydrophenanthren-17beta-(hydroxy or alkoxy)-17alpha-(aryl or heterocyclyl)-3beta-derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP disclosed
EP-0576915-A2 cyclopentanperhydrophenanthren-17beta-(3-furyl)-3-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-01-05 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A ATP1A1 3221/4885ATP1B1 2968/4885ATP1A3 1748/4885

“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.