SCHEMBL2931171

SCHEMBL2931171

O=C(O)c1cc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
KMT2A Q03164 2/20 0.71
GAA P10253 1/20 0.71
MAPT P10636 3/20 0.60
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PDPK1 O15530 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
APEX1 P27695 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
IDO1 P14902 1/20 0.57
SRD5A2 P31213 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
SMAD3 P84022 1/20 0.55
HDAC1 Q13547 1/20 0.55

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
Trifluoroacetic Acid SCHEMBL27758366 0.96 KDM4E (0.66) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL29457828 0.88 KDM4E (0.56) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL17310806 0.88 KDM4E (0.56) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL22529432 0.87 KDM4E (0.69) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL4860862 0.87 KDM4E (0.73) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL6518676 0.85 KDM4E (0.71) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL27758363 0.83 KDM4E (0.64) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL384385 0.82 KDM4E (0.74) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL13173648 0.81 KDM4E (0.64) KDM4EKMT2AGAAMAPTHPGD
SCHEMBL22529423 0.81 KDM4E (0.62) KDM4EKMT2AGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384581-B Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE 2013-09-18 CN claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
WO-2010012396-A1 5,6 SUBSTITUTED BENZAMIDE DERIVATIVES AS MODULATORS OF THE EP<SB>2 </SB>RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
US-7642344-B2 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES, INC. (US) 2010-01-05 US claimed
EP-0992511-B1 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES INC (US) 2009-03-11 EP claimed
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
US-20080009613-A1 Methods and compositions for determining the sequence of nucleic acid molecules OPERON BIOTECHNOLOGIES, INC. (US) 2008-01-10 US claimed
EP-0990047-A2 METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACID MOLECULES UTILIZING SIZING TECHNIQUES Rapigene, Inc. (US) 2000-04-05 EP claimed
US-6027890-A DETECTING LIGAND BINDING BY INCUBATING TAGGED MEMBERS WITH BIOLOGICAL SAMPLE, SEPARATING BOUND FROM UNBOUND MEMBERS, CLEAVING TAG, THEN DETECTING BY NON-FLUORESCENT SPECTROSCOPY OR POTENTIOMETRY RAPIGENE, INC. (US) 2000-02-22 US claimed
EP-0962464-A2 Methods and compositions for detecting binding of ligand pair using non-fluorescent label Rapigene, Inc. (US) 1999-12-08 EP claimed
WO-1999005319-A9 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE INC (US) 1999-06-17 WO claimed
WO-1999005319-A2 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE, INC. (US) 1999-02-04 WO claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed

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-20080009613-A1 Methods and compositions for determining the sequence of nucleic acid molecules CPSF6, RNMT, POLM KDM4E 3371/4885KMT2A 1215/4885GAA 1616/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 KDM4E 3048/4885KMT2A 1480/4885GAA 3039/4885

“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.