SCHEMBL2824796

SCHEMBL2824796

FC(F)(F)c1ccc(-c2cc(/C=C/c3ccccc3)[nH]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
CYP1A1 P04798 1/20 0.41
MAOB P27338 1/20 0.41
CYP1B1 Q16678 1/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SNCA P37840 2/20 0.41
HDAC1 Q13547 1/20 0.41
ALOX5 P09917 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
STAT3 P40763 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
AHR P35869 1/20 0.40
PTGS1 P23219 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL2824797 1.00 KIF11 (0.43) KIF11CYP1A1MAOBCYP1B1POLB
SCHEMBL29798905 0.85 POLB (0.53) POLBTP53MAPTRAB9ANPC1
SCHEMBL2826440 0.77 SNCA (0.48) KIF11MAOBPOLBTP53MAPT
SCHEMBL1791052 0.75 PTGS2 (0.59) POLBTP53MAPTRAB9ANPC1
SCHEMBL1791048 0.75 PTGS2 (0.59) POLBTP53MAPTRAB9ANPC1
SCHEMBL521926 0.74 MAOB (0.59) KIF11CYP1A1MAOBCYP1B1HDAC1
SCHEMBL521925 0.74 MAOB (0.59) KIF11CYP1A1MAOBCYP1B1HDAC1
SCHEMBL22468790 0.74 MAOB (0.59) KIF11CYP1A1MAOBCYP1B1HDAC1
SCHEMBL2824011 0.70 NR1H4 (0.50) KIF11POLBTP53MAPTSNCA
SCHEMBL21856003 0.70 SNCA (0.53) KIF11POLBTP53MAPTRAB9A

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-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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 (1 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 KIF11 4494/4885CYP1A1 1486/4885MAOB 3950/4885

“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.