SCHEMBL455817

SCHEMBL455817

OB(O)OC(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.41
RXRB P28702 8/20 0.41
RXRG P48443 7/20 0.41
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KIF11 P52732 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
KDM1A O60341 1/20 0.33
AKR1C1 Q04828 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
NAAA Q02083 1/20 0.31
ORAI1 Q96D31 1/20 0.31

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
SCHEMBL16458934 0.87 RXRA (0.40) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL4246248 0.84 RXRA (0.31) RXRARXRBRXRG
SCHEMBL4251846 0.83 ANPEP (0.30)
SCHEMBL8718917 0.81 PDK2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL911318 0.80 MGLL (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16086420 0.77 CES2 (0.31) AKR1C3AKR1C2
SCHEMBL1901069 0.69 CNR2 (0.38) RXRARXRBRXRGAKR1C3AKR1C2
SCHEMBL8718078 0.69 PTPRC (0.40) AKR1C3AKR1C2BACE1
SCHEMBL4243980 0.68
SCHEMBL8714275 0.66 PDK2 (0.37) CA1CA2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272742-A1 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-22 US disclosed
US-20160237184-A1 IMINE COMPOUND, NOVEL CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER JAPAN POLYPROPYLENE CORPORATION (JP) 2016-08-18 US disclosed
EP-3050892-A1 IMINE COMPOUND AND NOVEL CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD FOR PRODUCING OLEFIN POLYMER Japan Polypropylene Corporation (JP) 2016-08-03 EP disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
WO-2012109343-A2 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-08-16 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 (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-20160237184-A1 IMINE COMPOUND, NOVEL CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER ODC1, MACF1, MOGAT2 RXRA 4787/4885RXRB 4817/4885RXRG 4801/4885
US-20160272742-A1 IRON COMPLEXES AND METHODS FOR POLYMERIZATION FTH1, TFRC, FDPS RXRA 3772/4885RXRB 3511/4885RXRG 3613/4885

“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.