SCHEMBL4299718

SCHEMBL4299718

C=[C]c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.38
AR P10275 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
IDO1 P14902 2/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
NFKB1 P19838 1/20 0.34
KIF11 P52732 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2C P28335 1/20 0.33
CUL4A Q13619 1/20 0.33
CYP1A2 P05177 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
SCHEMBL313726 0.78 ALDH1A1 (0.40) ALDH1A1TDP1POLBL3MBTL1FFAR1
SCHEMBL6689411 0.78 ALDH1A1 (0.40) ALDH1A1TDP1POLBL3MBTL1FFAR1
SCHEMBL5250347 0.77 FFAR1 (0.46) ALDH1A1TDP1POLBL3MBTL1FFAR1
SCHEMBL1861089 0.76 ALDH1A1 (0.39) ALDH1A1TDP1POLBL3MBTL1FFAR1
SCHEMBL30794742 0.76 AR (0.59) ARSLC22A12
SCHEMBL103847 0.76 AR (0.59) ARSLC22A12
SCHEMBL8479886 0.76 ALDH1A1 (0.39) ALDH1A1TDP1POLBL3MBTL1FFAR1
SCHEMBL96903 0.76 FFAR1 (0.41) ALDH1A1TDP1POLBL3MBTL1FFAR1
Hydrochloric Acid SCHEMBL3872539 0.74 AR (0.58) ARSLC22A12
SCHEMBL381386 0.74 SLC22A12 (0.39) ALDH1A1TDP1POLBL3MBTL1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TDP1 2253/4885POLB 3799/4885

“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.