SCHEMBL980928

SCHEMBL980928

BrCCCCc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 2/20 0.32
SIGMAR1 Q99720 3/20 0.31
HRH1 P35367 2/20 0.30
ESR1 P03372 2/20 0.30
ADRA2A P08913 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
TACR2 P21452 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SHBG P04278 1/20 0.30
TP53 P04637 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
SCHEMBL28163490 0.98 THRA (0.40) TDP1THRATHRBMAOASIGMAR1
SCHEMBL7489223 0.98 THRA (0.40) TDP1THRATHRBMAOASIGMAR1
SCHEMBL263456 0.93 TDP1 (0.39) TDP1THRATHRBMAOASIGMAR1
SCHEMBL11803736 0.87 MAOA (0.40) MAOAMAOBSIGMAR1HRH1ESR1
SCHEMBL11690401 0.85 SIGMAR1 (0.41) MAOAMAOBSIGMAR1HRH1ESR1
SCHEMBL931699 0.82
SCHEMBL2177163 0.82 THRA (0.47) TDP1THRATHRBMAOAMAOB
SCHEMBL9673266 0.79 THRA (0.50) TDP1THRATHRBMAOBSIGMAR1
SCHEMBL9673289 0.79 THRA (0.50) TDP1THRATHRBMAOBSIGMAR1
SCHEMBL9670792 0.79 THRA (0.50) TDP1THRATHRBMAOBSIGMAR1

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104721173-B A kind of bag bromine butylphenyl phthaleine PLGA nano particles and preparation method thereof 郑州大学 2017-08-25 CN claimed
US-8546441-B2 PDK-1/AKT signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US claimed
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 claimed
EP-1696907-B1 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2013-04-17 EP claimed
US-8080574-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-20 US claimed
JP-4745971-B2 2011-08-10 JP claimed
US-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-20 US claimed
CN-1889949-B PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND 2010-06-16 CN claimed
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-12 US claimed
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-06-19 US claimed
EP-1696907-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP claimed
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US claimed
US-20060079566-A1 PDK-1/Akt signaling inhibitors THE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-04-13 US claimed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
WO-2005044130-A9 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2005-09-15 WO claimed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 WO claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TDP1 951/4885THRA 3445/4885THRB 3341/4885
US-20060079566-A1 PDK-1/Akt signaling inhibitors PDPK1, PDXK, PDK3 TDP1 1106/4885THRA 2794/4885THRB 2610/4885
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD TDP1 3959/4885THRA 3882/4885THRB 3241/4885
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA TDP1 1031/4885THRA 2645/4885THRB 2483/4885
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA TDP1 1026/4885THRA 2651/4885THRB 2495/4885
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD TDP1 4160/4885THRA 3759/4885THRB 3162/4885

“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.