SCHEMBL2539209

SCHEMBL2539209

CP(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
NFE2L2 Q16236 2/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
IDO1 P14902 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL196718 0.73 CYP3A4 (0.44) ACHEESR1ESR2CA1CA2
SCHEMBL7606316 0.73 ACHE (0.38) ACHECA1CA2CA7CA9
SCHEMBL7933208 0.71 CA1 (0.40) ACHECA1CA2CA7CA9
SCHEMBL5713320 0.71 CYP3A4 (0.42) ACHEESR1ESR2CA1CA2
SCHEMBL1400954 0.71 ACHE (0.53) ACHEESR1ESR2CA1CA2
SCHEMBL3962149 0.71 ESR1 (0.75) ACHEESR1ESR2CA1CA2
SCHEMBL13499 0.71
SCHEMBL2550793 0.69 ACHE (0.39) ACHECA1CA2CA7CA9
SCHEMBL17563446 0.69 ACHE (0.68) ACHENFE2L2LMNA
SCHEMBL2886150 0.69 IDO1 (0.39) ACHECA1CA2CA7CA9

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
EP-3653300-A1 OLEFIN OLIGOMERIZATION PROCESS WITH A CATALYST COMPRISING A CHROMIUM COMPLEX WITH A PHOSPHACYCLE-CONTAINING LIGAND Dow Global Technologies LLC (US) 2020-05-20 EP disclosed
US-10357764-B2 Phosphacycle compound and process for production thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2019-07-23 US disclosed
EP-3453452-A2 PHOSPHACYCLE-CONTAINING LIGAND FOR CHROMIUM COMPLEX AND OLEFIN OLIGOMERISATION CATALYST THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-13 EP disclosed
US-20110263775-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-10-27 US disclosed
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
US-20080255287-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRECTARY OF THE NAVY (US) 2008-10-16 US disclosed
CN-100364160-C Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES (JP) 2008-01-23 CN disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP 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-10357764-B2 Phosphacycle compound and process for production thereof OXER1, PPIP5K2, IP6K1 ACHE 182/4885ESR1 509/4885ESR2 571/4885
US-20080255287-A1 PHOSPHINE OXIDE CONTAINING PHTHALONITRILES PHOSPHO1, PBRM1, PFAS ACHE 2787/4885ESR1 393/4885ESR2 1173/4885

“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.