SCHEMBL979871

SCHEMBL979871

O=C(C=C(O)c1ccc2c(ccc3ccccc32)c1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 2/20 0.53
PLA2G2D Q9UNK4 1/20 0.43
SOS1 Q07889 1/20 0.39
PTPN1 P18031 1/20 0.39
PDPK1 O15530 1/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
AKR1B1 P15121 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12063071 1.00 ALDH1A1 (0.53) ALDH1A1HPGDMAPTPLA2G2DSOS1
SCHEMBL979869 1.00 ALDH1A1 (0.53) ALDH1A1HPGDMAPTPLA2G2DSOS1
SCHEMBL2695419 0.93 PLA2G2D (0.47) ALDH1A1HPGDMAPTPLA2G2DHSD17B10
SCHEMBL2695416 0.93 PLA2G2D (0.47) ALDH1A1HPGDMAPTPLA2G2DHSD17B10
SCHEMBL14496258 0.88 CES2 (0.50) ALDH1A1HPGDMAPTPTPN1HSD17B10
SCHEMBL12055055 0.81 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSOS1PTPN1
SCHEMBL2697711 0.79 KMT2A (0.53) ALDH1A1HPGDPLA2G2DPTPN1HSD17B10
SCHEMBL2697713 0.79 KMT2A (0.53) ALDH1A1HPGDPLA2G2DPTPN1HSD17B10
SCHEMBL19839315 0.78 ALDH1A1 (0.48) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL2695931 0.77 NR4A1 (0.55) ALDH1A1HPGDMAPTPLA2G2DPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741944-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-06-03 US disclosed
US-8546441-B2 PDK-1/AKT signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8541460-B2 Phosphoinositide-dependent kinase-1 (PDK-1) inhibitors; for the treatment and prevention of cancer in humans; 4-[5-(2-Phenanthracenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenecarboxamide THE OHIO STATE UNIVERSITY (US) 2013-09-24 US disclosed
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-12 US disclosed
US-8445483-B1 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-21 US disclosed
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-02 US disclosed
EP-1696907-B1 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2013-04-17 EP disclosed
US-8080574-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-20 US disclosed
US-8039502-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-10-18 US disclosed
US-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-20 US disclosed
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-12 US disclosed
US-7576116-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-18 US disclosed
US-20090111799-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-04-30 US disclosed
US-20080269309-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-06-19 US disclosed
EP-1696907-A4 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2007-09-05 EP disclosed
EP-1696907-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
US-20060079566-A1 PDK-1/Akt signaling inhibitors THE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-04-13 US disclosed
WO-2005044130-A9 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2005-09-15 WO disclosed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 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 (8 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-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 ALDH1A1 1193/4885HPGD 2052/4885MAPT 4759/4885
US-20060079566-A1 PDK-1/Akt signaling inhibitors PDPK1, PDXK, PDK3 ALDH1A1 1052/4885HPGD 1875/4885MAPT 4725/4885
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA ALDH1A1 1202/4885HPGD 1820/4885MAPT 4753/4885
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 ALDH1A1 4752/4885HPGD 4560/4885MAPT 4155/4885
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA ALDH1A1 1214/4885HPGD 1823/4885MAPT 4754/4885
US-20080269309-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 ALDH1A1 1193/4885HPGD 2052/4885MAPT 4759/4885
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 ALDH1A1 4752/4885HPGD 4560/4885MAPT 4155/4885
US-20090111799-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 ALDH1A1 4752/4885HPGD 4560/4885MAPT 4155/4885

“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.