SCHEMBL4982243

SCHEMBL4982243

Nc1ccc(C(F)(F)C(O)(F)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
PTGS1 P23219 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 2/20 0.35
GCK P35557 1/20 0.35
CA3 P07451 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
CA6 P23280 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NR1H2 P55055 3/20 0.33

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
SCHEMBL1284428 0.88 PGK1 (0.40) KIF11ALDH1A1NR1H2NR1H3PGK1
SCHEMBL9621272 0.81 KIF11 (0.46) KIF11NR1H2NR1H3PGK1PGK2
SCHEMBL445852 0.80 KIF11 (0.54) KIF11PTGS1ALDH1A1KDM4ETDP1
SCHEMBL8733113 0.80 KIF11 (0.59) KIF11PTGS1ALDH1A1KDM4ETDP1
SCHEMBL8560690 0.79 USP2 (0.43) CYP3A4NR1H2NR1H3RAB9APGK1
SCHEMBL9508396 0.79 ESR1 (0.56) KIF11PTGS1ALDH1A1KDM4EMAPT
SCHEMBL1357633 0.78 ALDH1A1 (0.50) KIF11ALDH1A1MAPTALOX15NR1H2
SCHEMBL2776477 0.77 MLYCD (0.50) TDP1MEN1KMT2ACYP3A4NR1H2
SCHEMBL4609826 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL289673 0.76 NR1H2 (0.56) KIF11GCKNR1H2NR1H3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102053108-B Method for preparing hexafluorobisphenol A modified carbon nanotube gas-sensitive sensing material UNIV SHANGHAI JIAOTONG 2012-09-19 CN disclosed
CN-102053108-A Method for preparing hexafluorobisphenol A modified carbon nanotube gas-sensitive sensing material UNIV SHANGHAI JIAOTONG 2011-05-11 CN disclosed
US-7385063-B2 Method for preparing imidazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-06-10 US disclosed
EP-1353662-B1 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-04-18 EP disclosed
US-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 US disclosed
EP-1353662-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-22 EP disclosed
WO-2002058690-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 WO disclosed
US-4230635-A ANTIHYPERTENSIVE, HERBICIDES, FUNGICIDES SCHERING CORPORATION (US) 1980-10-28 US disclosed
US-4093742-A Anti-hypertensive polyhaloisopropyl-substituted arylureas SCHERING CORPORATION (US) 1978-06-06 US disclosed
US-3931210-A Production of p-aminobenzoic acid AKZO N.V. (NL) 1976-01-06 US 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 (1 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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors ME2, PC, ACACA KIF11 3330/4885PTGS1 1185/4885ALDH1A1 218/4885

“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.