SCHEMBL1404873

SCHEMBL1404873

CC(=O)/C=C/c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.65
PTGS1 P23219 1/20 0.65
APP P05067 9/20 0.61
P4HB P07237 4/20 0.51
CXCL12 P48061 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TTR P02766 2/20 0.45
MEN1 O00255 1/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
MMP1 P03956 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL1404874 1.00 IAPP (0.65) IAPPPTGS1APPP4HBCXCL12
SCHEMBL11971417 0.87 APP (0.60) IAPPPTGS1APPP4HBKDM4E
SCHEMBL11971419 0.87 APP (0.60) IAPPPTGS1APPP4HBKDM4E
SCHEMBL16141410 0.84 IAPP (0.51) IAPPPTGS1APPGLATDP1
SCHEMBL11999778 0.82 APP (0.56) IAPPPTGS1APPP4HBCXCL12
SCHEMBL3560692 0.81 IAPP (0.51) IAPPPTGS1APPKDM4EGLA
SCHEMBL3560696 0.81 IAPP (0.51) IAPPPTGS1APPKDM4EGLA
SCHEMBL1881134 0.79 IAPP (1.00) IAPPPTGS1APPKDM4EHSD17B10
SCHEMBL1881133 0.79 IAPP (1.00) IAPPPTGS1APPKDM4EHSD17B10
SCHEMBL29364807 0.79 IAPP (1.00) IAPPPTGS1APPKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079747-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LTD (GB) 2011-03-09 EP disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 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 (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-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C IAPP 1485/4885PTGS1 1214/4885APP 1746/4885

“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.