SCHEMBL457746

SCHEMBL457746

Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
KCNH2 Q12809 1/20 0.53
TEAD4 Q15561 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AR P10275 1/20 0.50
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
MMP13 P45452 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.45
MAPK1 P28482 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL1685383 0.88 CA1 (0.52) KCNH2MAPTALDH1A1LTA4HMAPK1
SCHEMBL11148692 0.88 CA1 (0.52) KCNH2MAPTALDH1A1LTA4HMAPK1
SCHEMBL29377645 0.85 LTA4H (0.50) KCNH2MAPTALDH1A1LTA4HMAPK1
SCHEMBL91414 0.85 TSHR (0.55) ALDH1A1TDP1CA1CA2CA9
SCHEMBL17816159 0.85 TSHR (0.55) ALDH1A1TDP1CA1CA2CA9
SCHEMBL12960904 0.85 AR (0.50) HTR2ASLC6A4KCNH2TEAD4MAPT
SCHEMBL5357476 0.85 ALDH1A1 (0.59) HTR2ASLC6A4KCNH2TEAD4MAPT
Ammonia Solution, Strong SCHEMBL28559843 0.83 TSHR (0.52) ALDH1A1TDP1CA1CA2CA9
Bromide SCHEMBL27849066 0.83 TSHR (0.52) ALDH1A1TDP1CA1CA2CA9
SCHEMBL17577314 0.83 HTR2A (0.43) HTR2ASLC6A4KCNH2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359503-A Synthesis method of copper-catalyzed diaryl ether promoted by visible light 新疆大学 2024-07-19 CN disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
EP-2871180-B1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD (JP) 2018-03-21 EP disclosed
US-9365513-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2016-06-14 US disclosed
US-9365513-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2016-06-14 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9196843-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2015-11-24 US disclosed
US-9196843-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2015-11-24 US disclosed
US-9096528-B2 2-aminonicotinic acid ester derivative and bactericide containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2015-08-04 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-7183304-B2 such as (R)-1-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-benzenesulfonyl}-azetidine-2-carboxylic acid, used as peroxisome proliferator-activated receptor agonists; hypoglycemic agents NOVARTIS AG (CH) 2007-02-27 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 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 (4 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD HTR2A 905/4885SLC6A4 4665/4885KCNH2 3049/4885
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML HTR2A 4741/4885SLC6A4 4827/4885KCNH2 3728/4885
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD HTR2A 1092/4885SLC6A4 571/4885KCNH2 3283/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD HTR2A 905/4885SLC6A4 4665/4885KCNH2 3049/4885

“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.