SCHEMBL2174757

SCHEMBL2174757

CC1(COc2cccc(/C=C3/SC(=O)NC3=O)c2)CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.79
HPGD P15428 1/20 0.79
PIM1 P11309 7/20 0.63
PIM2 Q9P1W9 7/20 0.63
AKR1B1 P15121 4/20 0.63
CNR1 P21554 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NOD2 Q9HC29 1/20 0.59
IGF1R P08069 1/20 0.56
ADAMTS5 Q9UNA0 3/20 0.55
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CISD1 Q9NZ45 1/20 0.51

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
SCHEMBL2174761 1.00 PARP1 (0.79) PARP1HPGDPIM1PIM2AKR1B1
SCHEMBL12406319 1.00 PARP1 (0.79) PARP1HPGDPIM1PIM2AKR1B1
SCHEMBL6865386 0.88 HPGD (1.00) PARP1HPGDPIM1PIM2AKR1B1
SCHEMBL1299780 0.88 HPGD (1.00) PARP1HPGDPIM1PIM2AKR1B1
SCHEMBL1299778 0.88 HPGD (1.00) PARP1HPGDPIM1PIM2AKR1B1
SCHEMBL12406331 0.81 HPGD (0.70) PARP1HPGDPIM1PIM2MEN1
SCHEMBL12406318 0.81 HPGD (0.70) PARP1HPGDCISD1
SCHEMBL2174545 0.81 HPGD (0.70) PARP1HPGDPIM1PIM2MEN1
SCHEMBL2172853 0.81 HPGD (0.70) PARP1HPGDCISD1
SCHEMBL2172856 0.81 HPGD (0.70) PARP1HPGDCISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US claimed
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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 PARP1 1402/4885HPGD 183/4885PIM1 4023/4885

“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.