SCHEMBL9612314

SCHEMBL9612314

COc1cc(F)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.59
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ PTGS2 P35354 1/20 0.52
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44

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
SCHEMBL18472614 1.00 ACHE (0.59) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL14432911 0.85 PTGS2 (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL10209878 0.84 TSHR (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL29951473 0.80 TUBB4A (0.44) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL31538431 0.79 ERN1 (0.49) CYP3A4MAPTHTR2CALDH1A1L3MBTL1
SCHEMBL13929520 0.78 MEN1 (0.41) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL10751466 0.77 CYP3A4 (0.53) ACHECYP3A4MAPTPTGS2ALDH1A1
SCHEMBL9787558 0.77 PKM (0.49) CYP3A4MAPTHTR2CALDH1A1L3MBTL1
SCHEMBL9933825 0.77 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31038744 0.77 CYP3A4 (0.40) ACHECYP3A4MAPTCA9PTGS2

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-B1 TRKB AGONISTS AND METHODS OF USE UNIV EMORY (US) 2018-02-14 — — EP disclosed
US-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-02-09 — — US disclosed
US-9504674-B2 TrkB agonists and methods of use EMORY UNIVERSITY (US) 2016-11-29 — — 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-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
US-9029561-B2 TRKB agonists and methods of use EMORY UNIVERSITY (US) 2015-05-12 — — US disclosed
US-20130040947-A1 TRKB AGONISTS AND METHODS OF USE EMORY UNIVERSITY (US) 2013-02-14 — — US 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 (3 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 ACHE 1910/4885CYP3A4 1228/4885MAPT 1145/4885
US-20150174107-A1 TRKB AGONISTS AND METHODS OF USE NTRK2, BDNF, NTRK1 ACHE 1765/4885CYP3A4 1323/4885MAPT 1003/4885
US-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS SOD1, TPO, FLI1 ACHE 1413/4885CYP3A4 510/4885MAPT 2773/4885

“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.

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