SCHEMBL6355461

SCHEMBL6355461

O=[N+]([O-])c1c(F)ccc(C(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.43
VEGFA P15692 1/20 0.43
ABCC8 Q09428 5/20 0.36
KCNJ11 Q14654 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 1/20 0.36
VCAM1 P19320 1/20 0.34
KIF11 P52732 3/20 0.33
CCR2 P41597 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 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
SCHEMBL18300010 0.81 EPAS1 (0.41) EPAS1VEGFAABCC8KCNJ11ALDH1A1
SCHEMBL1340438 0.79 ALDH1A1 (0.43) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL29860351 0.79 ALDH1A1 (0.43) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL102571 0.78 EPAS1 (0.42) EPAS1VEGFAABCC8KCNJ11ALDH1A1
SCHEMBL31522139 0.78 EPAS1 (0.39) EPAS1VEGFAABCC8KCNJ11ALDH1A1
SCHEMBL972079 0.77 ALDH1A1 (0.41) EPAS1VEGFAABCC8KCNJ11ALDH1A1
SCHEMBL7513494 0.76 ALDH1A1 (0.48) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL5316312 0.74 EPAS1 (0.44) EPAS1VEGFAABCC8KCNJ11ALDH1A1
SCHEMBL30924883 0.74 TDP1 (0.50) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL825499 0.74 TDP1 (0.50) ALDH1A1HIF1AVCAM1TDP1ATM

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-20050282812-A1 Inhibitors of cholesteryl ester transfer protein ARRAY BIOPHARMA INC. 2005-12-22 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-20050282812-A1 Inhibitors of cholesteryl ester transfer protein CETP, LCAT, MTTP EPAS1 1316/4885VEGFA 3911/4885ABCC8 153/4885

“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.