SCHEMBL12406331

SCHEMBL12406331

COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC1(C)CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.70
IGF1R P08069 1/20 0.70
PARP1 P09874 1/20 0.70
PDE4B Q07343 3/20 0.68
PIM1 P11309 2/20 0.68
PIM3 Q86V86 2/20 0.68
PIM2 Q9P1W9 2/20 0.68
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MGAM O43451 1/20 0.59
GAA P10253 1/20 0.59
SI P14410 1/20 0.59
MGAM2 Q2M2H8 1/20 0.59
GSK3B P49841 2/20 0.58
CDC7 O00311 1/20 0.58
DAPK3 O43293 1/20 0.58
DYRK3 O43781 1/20 0.58
MAP4K4 O95819 1/20 0.58
PHKG2 P15735 1/20 0.58
RPS6KB1 P23443 1/20 0.58

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
SCHEMBL2174548 1.00 HPGD (0.70) HPGDIGF1RPARP1PDE4BPIM1
SCHEMBL2174545 1.00 HPGD (0.70) HPGDIGF1RPARP1PDE4BPIM1
SCHEMBL2171403 0.90 HPGD (0.69) HPGDIGF1RPARP1PDE4BPIM1
SCHEMBL2171398 0.90 HPGD (0.69) HPGDIGF1RPARP1PDE4BPIM1
SCHEMBL12406326 0.90 HPGD (0.69) HPGDIGF1RPARP1PDE4BPIM1
SCHEMBL2172853 0.87 HPGD (0.70) HPGDPARP1
SCHEMBL12406318 0.87 HPGD (0.70) HPGDPARP1
SCHEMBL2172856 0.87 HPGD (0.70) HPGDPARP1
SCHEMBL2171881 0.85 HPGD (0.67) HPGDIGF1RPARP1PDE4BPIM1
SCHEMBL2171875 0.85 HPGD (0.67) HPGDIGF1RPARP1PDE4BPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US disclosed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 HPGD 183/4885IGF1R 537/4885PARP1 1402/4885

“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.