SCHEMBL290511

SCHEMBL290511

OB(O)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 2/20 0.43
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
EPHX1 P07099 1/20 0.41
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL17509574 0.78 CETP (0.51) GRIN2BEPHX1DAO
SCHEMBL963834 0.77 PPARG (0.53) GRIN2BALDH1A1TSHREPHX2MAPT
SCHEMBL2092054 0.76 SLC6A4 (0.56) GRIN2BALDH1A1TSHREPHX2MAPT
SCHEMBL254957 0.75 MAPT (0.56) ALDH1A1TSHREPHX2MAPTMAOB
SCHEMBL630440 0.74 MAPT (0.48) ALDH1A1TSHREPHX2MAPTMAOB
SCHEMBL155707 0.74 TSHR (0.58) GRIN2BALDH1A1TSHREPHX2MAPT
SCHEMBL513288 0.73 GRIN2B (0.50) GRIN2BALDH1A1TSHREPHX2SLC6A4
SCHEMBL700042 0.73 PPARA (0.56) GRIN2BALDH1A1TSHREPHX2MAPT
Ammonia Solution, Strong SCHEMBL25380785 0.72 TSHR (0.56) GRIN2BALDH1A1TSHREPHX2MAPT
SCHEMBL1047224 0.72 ALDH1A1 (0.47) GRIN2BALDH1A1TSHREPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115959993-A Synthetic method of 2-aryl propionic acid compound 山东中医药大学 2023-04-14 CN disclosed
EP-4038067-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-08-10 EP disclosed
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130345178-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
EP-2427190-B1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2013-09-18 EP disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
EP-2427190-A1 8-AZA TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 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-20130345178-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 GRIN2B 2470/4885ALDH1A1 1338/4885TSHR 1222/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 GRIN2B 2590/4885ALDH1A1 1323/4885TSHR 1184/4885

“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.