SCHEMBL6863580

SCHEMBL6863580

O=C(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 1/20 0.41
IDO1 P14902 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPK14 Q16539 1/20 0.36
EPHX1 P07099 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL13545163 0.86 MEN1 (0.42) CES2CES1MEN1KMT2AMAPK8
SCHEMBL5907106 0.84 MEN1 (0.41) CES2CES1MEN1KMT2AMAPK8
SCHEMBL8512 0.82 AKR1B1 (0.48) CES2CES1MEN1KMT2A
SCHEMBL6012108 0.81 MEN1 (0.40) CES2CES1MEN1KMT2AMAPK8
SCHEMBL4176312 0.80 CES2 (0.42) CES2CES1MEN1KMT2AMAPK8
Hydrochloric Acid SCHEMBL3297493 0.80 AKR1B1 (0.46) CES2CES1MEN1KMT2AIDO1
SCHEMBL102536 0.80 CES2 (0.42) CES2CES1MEN1KMT2AMAPK8
SCHEMBL1115062 0.80 CA2 (0.46) CES2CES1MEN1KMT2AMAPK8
SCHEMBL7487254 0.80 CES2 (0.42) CES2CES1MEN1KMT2AMAPK8
SCHEMBL1798610 0.80 MEN1 (0.45) CES2CES1MEN1KMT2AMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11196007-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, electronic device, and moving object CANON KABUSHIKI KAISHA (JP) 2021-12-07 US disclosed
US-20200111964-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-04-09 US disclosed
US-8968889-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2015-03-03 US disclosed
US-8968889-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2015-03-03 US disclosed
US-8963416-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-8963416-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-20130216268-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-08-22 US disclosed
US-20130216268-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-08-22 US disclosed
US-8431711-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2013-04-30 US disclosed
US-8431711-B2 Organic compound CANON KABUSHIKI KAISHA (JP) 2013-04-30 US disclosed
US-20130002526-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20130002526-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 US disclosed
US-20110251394-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-10-13 US disclosed
US-20110251394-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-10-13 US disclosed
WO-2011121935-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-10-06 WO disclosed
US-6797842-B2 BY ASYMMETRICALLY REDUCING AN OPTICALLY ACTIVE IMINE, USING A HYDRIDE REDUCING AGENT TO CONVERT TO AN OPTICALLY ACTIVE SECONDARY AMINE, WHICH THEN UNDERGOES HYDROGENOLYSIS; HIGH OPTICAL PURITY, SIMPLE, EFFICIENT CENTRAL GLASS COMPANY, LIMITED (JP) 2004-09-28 US disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 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 (5 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-11196007-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, electronic device, and moving object OCIAD1, OCIAD2, OR51E2 CES2 2048/4885CES1 3336/4885MEN1 934/4885
US-20110251394-A1 NOVEL ORGANIC COMPOUND MRPL38, RPS8, MRPS18B CES2 1646/4885CES1 2562/4885MEN1 750/4885
US-20130002526-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE MRPL38, RPS8, RPS19 CES2 2687/4885CES1 2721/4885MEN1 1508/4885
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 CES2 2291/4885CES1 984/4885MEN1 2297/4885
US-20200111964-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC DEVICE, AND MOVING OBJECT OCIAD1, OCIAD2, OR51E2 CES2 2048/4885CES1 3336/4885MEN1 934/4885

“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.