SCHEMBL1847366

SCHEMBL1847366

COc1ccc2c(=O)cc(-c3ccc(N(C)C)cc3)oc2c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C19 P33261 2/20 0.70
NCOA1 Q15788 1/20 0.70
NCOA3 Q9Y6Q9 1/20 0.70
TERT O14746 8/20 0.67
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57
TUBB2B Q9BVA1 1/20 0.57

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
SCHEMBL12556208 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL6612282 0.86 TUBB4A (0.76) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL16704751 0.85 CYP1A1 (0.76) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL21647169 0.85 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL27381836 0.85 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL4649487 0.84 CYP3A4 (0.76) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL29612043 0.84 TERT (0.77) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL988001 0.84 TERT (0.77) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL14286203 0.82 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19NCOA1NCOA3
SCHEMBL6613755 0.81 TERT (0.77) CYP1A2CYP3A4CYP2C19NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895344-B2 Treating various disorders with 7,8-dihydroxyflavone and derivatives thereof EMORY UNIVERSITY (US) 2018-02-20 US disclosed
US-9895344-B2 Treating various disorders with 7,8-dihydroxyflavone and derivatives thereof EMORY UNIVERSITY (US) 2018-02-20 US 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-20110144196-A1 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF EMORY UNIVERSITY (US) 2011-06-16 US disclosed
US-20110144196-A1 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF EMORY UNIVERSITY (US) 2011-06-16 US disclosed
EP-2323649-A2 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF Emory University (US) 2011-05-25 EP disclosed
WO-2010011836-A2 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF EMORY UNIVERSITY (US) 2010-01-28 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-20150174107-A1 TRKB AGONISTS AND METHODS OF USE NTRK2, BDNF, NTRK1 CYP1A2 775/4885CYP3A4 1323/4885CYP2C19 1376/4885
US-20110144196-A1 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF NTRK2, BDNF, HTR7 CYP1A2 703/4885CYP3A4 1397/4885CYP2C19 706/4885

“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.