SCHEMBL3284909

SCHEMBL3284909

FC(F)(F)c1cc(C(F)(F)F)n(-c2c[c]ccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 3/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPC3 Q13507 3/20 0.41
ORAI1 Q96D31 3/20 0.41
TP53 P04637 2/20 0.40
TRPC1 P48995 1/20 0.38
STIM1 Q13586 1/20 0.38
TRPC5 Q9UL62 1/20 0.37
THRB P10828 1/20 0.37
PTGS2 P35354 3/20 0.36
KLKB1 P03952 2/20 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
SCHEMBL3284843 0.90 PTGS1 (0.41) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL6094805 0.84 MAPT (0.45) KDM4EPTGS1MAPTALDH1A1TRPC3
SCHEMBL399593 0.81 TRPC3 (0.48) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL7570850 0.80 PTGS1 (0.65) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL3277833 0.80 PTGS1 (0.74) PTGS1MAPTTP53THRBPTGS2
SCHEMBL6175728 0.78 PTGS1 (0.58) PTGS1PTGS2
SCHEMBL5800787 0.77 PTGS2 (0.58) PTGS1PTGS2
SCHEMBL14198877 0.74 TRPC3 (0.51) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL3279042 0.74 KDM4E (0.54) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL2903361 0.72 GRIA2 (0.43) KDM4EL3MBTL1MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (8 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 KDM4E 1319/4885L3MBTL1 3358/4885PTGS1 653/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 KDM4E 3430/4885L3MBTL1 4381/4885PTGS1 658/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 KDM4E 1835/4885L3MBTL1 4039/4885PTGS1 89/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT KDM4E 1633/4885L3MBTL1 3949/4885PTGS1 101/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 KDM4E 1369/4885L3MBTL1 3742/4885PTGS1 614/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KDM4E 1821/4885L3MBTL1 3903/4885PTGS1 113/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR KDM4E 1698/4885L3MBTL1 3917/4885PTGS1 117/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KDM4E 2305/4885L3MBTL1 3310/4885PTGS1 1346/4885

“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.