SCHEMBL863740

SCHEMBL863740

FC(F)(F)c1cc(-c2cccc(-c3cc(C(F)(F)F)n[nH]3)n2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
IDH1 O75874 4/20 0.35
IDH2 P48735 2/20 0.35
POLB P06746 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
IDO1 P14902 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17429283 0.92 CTSS (0.39) POLBHSD17B10KDM4ELMNAIDO1
SCHEMBL17429377 0.92 LMNA (0.39) POLBHSD17B10KDM4ELMNAGABRA1
SCHEMBL12958420 0.91 IDH1 (0.33) NOTUMIDH1IDH2HSD17B10KDM4E
SCHEMBL19625267 0.91 RAB9A (0.48) POLBHSD17B10KDM4ELMNATP53
SCHEMBL18158118 0.89 CCR1 (0.46) IDH1IDH2
SCHEMBL18287243 0.88 KDM4E (0.46) HSD17B10KDM4ELMNATP53MAPK1
SCHEMBL12074978 0.88 SMN1; SMN2 (0.51) POLBHSD17B10KDM4ELMNAGABRA1
SCHEMBL18678663 0.88 IDH1 (0.33) NOTUMIDH1IDH2
SCHEMBL17350071 0.88 POLB (0.41) POLBKDM4ETP53RAB9A
SCHEMBL14642572 0.87 CTSS (0.51) NOTUMPOLBKDM4ELMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9779879-B2 Redox couple for electrochemical and optoelectronic devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-10-03 US disclosed
US-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-03-30 US disclosed
US-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-03-30 US disclosed
US-9559321-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-01-31 US disclosed
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-08-11 US disclosed
US-8822818-B2 4,4′-dicarboxy-2,2′-bipyridine derived tridentate ligand, metal complex containing the same, and application thereof NATIONAL TSING HUA UNIVERSITY (TW) 2014-09-02 US disclosed
US-20140060641-A1 REDOX COUPLE FOR ELECTROCHEMICAL AND OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (FR) 2014-03-06 US disclosed
US-8507679-B2 Heteroleptic, dual tridentate Ru(II) complexes as sensitizers for dye-sensitized solar cells NATIONAL TSING HUA UNIVERSITY (TW) 2013-08-13 US disclosed
US-8507679-B2 Heteroleptic, dual tridentate Ru(II) complexes as sensitizers for dye-sensitized solar cells NATIONAL TSING HUA UNIVERSITY (TW) 2013-08-13 US disclosed
US-8507679-B2 Heteroleptic, dual tridentate Ru(II) complexes as sensitizers for dye-sensitized solar cells NATIONAL TSING HUA UNIVERSITY (TW) 2013-08-13 US disclosed
EP-2551949-A1 Metal complexes for use as dopants and other uses Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2013-01-30 EP disclosed
US-20120247561-A1 4,4'-DICARBOXY-2,2'-BIPYRIDINE DERIVED TRIDENTATE LIGAND, METAL COMPLEX CONTAINING THE SAME, AND APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-04 US disclosed
EP-2492277-A1 Improved redox couple for electrochemical and optoelectronic devices Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2012-08-29 EP disclosed
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 US disclosed
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 US disclosed
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 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 (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-20120247561-A1 4,4'-DICARBOXY-2,2'-BIPYRIDINE DERIVED TRIDENTATE LIGAND, METAL COMPLEX CONTAINING THE SAME, AND APPLICATION THEREOF CD4, CD2, AP2M1 NOTUM 4268/4885IDH1 1037/4885IDH2 1491/4885
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS RUVBL2, RUVBL1, CCNL2 NOTUM 3748/4885IDH1 1101/4885IDH2 1745/4885
US-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF CRY2, CACNA1S, CACNA1E NOTUM 3712/4885IDH1 1411/4885IDH2 867/4885
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES SOD1, DDT, SOD3 NOTUM 2587/4885IDH1 1751/4885IDH2 1048/4885

“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.