SCHEMBL556994

SCHEMBL556994

Fc1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.56
NPC1 O15118 2/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.43
PPARA Q07869 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL27344645 0.92 KIF11 (0.63) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL28530523 0.90 KIF11 (0.61) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL29690424 0.90 KIF11 (0.61) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL4342508 0.88 KIF11 (0.59) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL30433595 0.84 FEN1 (0.51) KIF11KDM1AMAOBALOX5APFEN1
SCHEMBL1416678 0.83 KIF11 (0.48) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL29164328 0.83 KIF11 (0.55) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL3392514 0.83 KIF11 (0.55) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL28403735 0.83 KIF11 (0.55) KIF11NPC1KDM1AMAOBNPSR1
SCHEMBL1765232 0.83 KIF11 (0.59) KIF11NPC1KDM1AMAOBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390575-B2 Isomerisation reaction FIRMENICH SA (CH) 2022-07-19 US disclosed
US-20220041536-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2022-02-10 US disclosed
EP-3837235-A1 ISOMERISATION REACTION Firmenich SA (CH) 2021-06-23 EP disclosed
CN-112805266-A Isomerization reaction 弗门尼舍有限公司 2021-05-14 CN disclosed
WO-2020187877-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2020-09-24 WO disclosed
US-8529796-B2 Charge transport compositions and electronic devices made with such compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-10 US disclosed
US-20130009142-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-10 US disclosed
EP-1431289-B1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds DU PONT (US) 2013-01-02 EP disclosed
US-8293139-B2 Charge transport compositions and electronic devices made with such compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2012-10-23 US disclosed
US-8287769-B2 Charge transport compositions and electronic devices made with such compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20030197183-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds GRUSHIN VLADIMIR (US) 2003-10-23 US disclosed
US-20030148142-A1 Polymers having attached luminescent metal complexes and devices made with such polymers LG CHEM, LTD. (KR) 2003-08-07 US disclosed
US-20030144487-A1 Photoactive lanthanide complexes with phosphine oxides, phosphine oxide-sulfides, pyridine N-oxides, and phosphine oxide-pyridine N-oxides, and devices made with such complexes E. I. DU PONT DE NEMOURS AND COMPANY 2003-07-31 US disclosed
WO-2003063555-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WIHT FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO disclosed
EP-1295514-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-26 EP disclosed
US-20020190250-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2002-12-19 US disclosed
US-20020121638-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-05 US disclosed
WO-2002031896-A2 POLYMERS HAVING ATTACHED LUMINESCENT METAL COMPLEXES AND DEVICES MADE WITH SUCH POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-18 WO disclosed
WO-2002002714-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-10 WO disclosed
CN-1127507-A Substituted 2-fused phenylpyridines with herbicidal activity BASF AG (DE) 1996-07-24 CN 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-11390575-B2 Isomerisation reaction CYP3A4, CYP4A11, UGT1A10 KIF11 1966/4885NPC1 2148/4885KDM1A 4623/4885
US-20220041536-A1 ISOMERISATION REACTION CYP3A4, CYP4A11, UGT1A10 KIF11 1966/4885NPC1 2148/4885KDM1A 4623/4885

“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.