SCHEMBL5087938

SCHEMBL5087938

COC(=O)[C@]1(C)[C@@H]2CC(=O)[C@H]3[C@@H](C)/C(=C\C(=O)OCCN(C)C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP12A P54707 5/20 0.81
ATP1A1 P05023 4/20 0.81
ATP1B1 P05026 4/20 0.81
ATP1A3 P13637 4/20 0.81
ATP1B2 P14415 4/20 0.81
ATP1A2 P50993 4/20 0.81
ATP1B3 P54709 4/20 0.81
FXYD2 P54710 4/20 0.81
ATP1A4 Q13733 4/20 0.81
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ADCY1 Q08828 3/20 0.30
RORC P51449 1/20 0.30

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
Cassaine SCHEMBL4167835 0.89 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL4167834 0.89 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30505265 0.87 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4148208 0.87 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6857608 0.87 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6857605 0.87 ATP1A1 (0.73) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL7805406 0.86 ATP12A (0.93) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL11892867 0.81 ATP12A (0.84) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL677461 0.81 ATP12A (0.84) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5082160 0.79 ATP1A1 (0.71) ATP12AATP1A1ATP1B1ATP1A3ATP1B2

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
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ATP12A 1039/4885ATP1A1 305/4885ATP1B1 347/4885

“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.