SCHEMBL684806

SCHEMBL684806

Cc1cc(O)c(C=O)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 1/20 0.39
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28456767 0.83 ALDH1A1 (0.52) ERN1CYP3A4MAPTSELLSELP
SCHEMBL3185655 0.80 ERN1 (0.52) ERN1CYP3A4MAPTSELLSELP
SCHEMBL679035 0.79 CES2 (0.39) ERN1CYP3A4MAPTALDH1A1POLB
SCHEMBL22587852 0.77 AR (0.34) ERN1CYP3A4MAPTAR
SCHEMBL12581708 0.75 CYP3A4 (0.46) ERN1CYP3A4MAPTSELLSELP
SCHEMBL12581672 0.75 SELL (0.46) ERN1CYP3A4MAPTSELLSELP
SCHEMBL17864623 0.74 ACHE (0.56) CYP3A4MAPTSELLSELPSELE
SCHEMBL2926466 0.74 CYP3A4 (0.48) ERN1CYP3A4MAPTSELLSELP
SCHEMBL24313735 0.73 HTR2A (0.35) ALDH1A1POLB
SCHEMBL29588792 0.73 HTR2A (0.35) ALDH1A1POLB

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
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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 (2 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 ERN1 3396/4885CYP3A4 48/4885MAPT 1491/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ERN1 3190/4885CYP3A4 71/4885MAPT 921/4885

“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.