SCHEMBL13196340

SCHEMBL13196340

CCNC(=O)/C=C(/C(C)C)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX1 P07099 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL12849271 0.77 TSHR (0.43)
SCHEMBL12849269 0.77 TSHR (0.43)
SCHEMBL13196359 0.76 POLB (0.34)
SCHEMBL13174370 0.76 POLB (0.34)
SCHEMBL15482583 0.75 HDAC4 (0.35) LTB4RLTB4R2HDAC4HDAC1HDAC6
SCHEMBL5512966 0.71 NR4A1 (0.33)
SCHEMBL5518600 0.71 NR4A1 (0.33)
SCHEMBL14458704 0.70 NPSR1 (0.46) HDAC4HDAC1HDAC6
SCHEMBL16532738 0.69
SCHEMBL16532730 0.69

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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B LTB4R 3531/4885LTB4R2 3497/4885HDAC4 1052/4885

“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.