SCHEMBL8514810

SCHEMBL8514810

CN(C)c1cccc(-c2cc(=O)c3ccc(O)c(O)c3o2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 12/20 0.70
ALDH1A1 P00352 4/20 0.70
CYP3A4 P08684 4/20 0.70
MAPT P10636 4/20 0.70
HPGD P15428 4/20 0.70
KDM4E B2RXH2 3/20 0.70
ALOX15 P16050 3/20 0.70
HSD17B10 Q99714 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
TP53 P04637 2/20 0.70
MAPK1 P28482 2/20 0.70
RECQL P46063 2/20 0.70
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP19A1 P11511 2/20 0.67
IKBKB O14920 1/20 0.67
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
NTRK2 Q16620 1/20 0.67

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
SCHEMBL1847832 0.86 TERT (0.72) TERTALDH1A1CYP3A4MAPTHPGD
SCHEMBL4649946 0.83 TERT (1.00) TERTALDH1A1CYP3A4MAPTHPGD
7,8-Dihydroxyflavone SCHEMBL29374601 0.81 TERT (1.00) TERTALDH1A1CYP3A4MAPTHPGD
7,8-Dihydroxyflavone SCHEMBL419316 0.81 TERT (1.00) TERTALDH1A1CYP3A4MAPTHPGD
SCHEMBL6613777 0.81 TERT (0.76) TERTALDH1A1CYP3A4MAPTHPGD
SCHEMBL6617302 0.81 TERT (0.76) TERTALDH1A1CYP3A4MAPTHPGD
7,8-Dihydroxyflavone SCHEMBL21852713 0.80 TERT (0.97) TERTALDH1A1CYP3A4MAPTHPGD
SCHEMBL35318 0.78 TERT (1.00) TERTALDH1A1CYP3A4MAPTHPGD
SCHEMBL6804531 0.77 TERT (0.81) TERTALDH1A1CYP3A4MAPTHPGD
7,8-Dihydroxyflavone SCHEMBL29577498 0.76 TERT (0.89) TERTALDH1A1CYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579870-A2 TRKB AGONISTS AND METHODS OF USE Emory University (US) 2013-04-17 EP claimed
US-20130040947-A1 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2013-02-14 US claimed
WO-2011156479-A9 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2012-05-31 WO claimed
WO-2011156479-A2 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2011-12-15 WO claimed
EP-2579870-B1 TRKB AGONISTS AND METHODS OF USE UNIV EMORY (US) 2018-02-14 EP disclosed
US-9504674-B2 TrkB agonists and methods of use EMORY UNIVERSITY (US) 2016-11-29 US disclosed
US-20150174107-A1 TRKB AGONISTS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-25 US disclosed
US-9029561-B2 TRKB agonists and methods of use EMORY UNIVERSITY (US) 2015-05-12 US disclosed
EP-2579870-A2 TRKB AGONISTS AND METHODS OF USE Emory University (US) 2013-04-17 EP disclosed
US-20130040947-A1 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2013-02-14 US disclosed
WO-2011156479-A9 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2012-05-31 WO disclosed
WO-2011156479-A2 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2011-12-15 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 (2 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-20130040947-A1 TRKB AGONISTS AND METHODS OF USE NTRK2, BDNF, NTRK1 TERT 2930/4885ALDH1A1 1116/4885CYP3A4 1228/4885
US-20150174107-A1 TRKB AGONISTS AND METHODS OF USE NTRK2, BDNF, NTRK1 TERT 2908/4885ALDH1A1 1274/4885CYP3A4 1323/4885

“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.