SCHEMBL679035

SCHEMBL679035

O=Cc1c(O)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AKT1 P31749 1/20 0.36
NOTUM Q6P988 1/20 0.34
ERN1 O75460 2/20 0.33
NQO2 P16083 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
ACP1 P24666 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
P2RX1 P51575 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 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
SCHEMBL3190129 0.86 CES2 (0.41) CES2ALDH1A1NOTUMCYP3A4AR
SCHEMBL20564024 0.81 CES2 (0.36) CES2KDM4EALDH1A1ERN1NQO2
SCHEMBL14055037 0.81 CES2 (0.35) CES2NOTUMMAPTACP1AR
SCHEMBL684806 0.79 ERN1 (0.39) ALDH1A1AKT1ERN1MAPTPOLB
SCHEMBL424780 0.78 KIF11 (0.40) CES2MEN1KMT2A
SCHEMBL22587852 0.75 AR (0.34) ERN1MAPTCYP3A4AR
SCHEMBL24313735 0.74 HTR2A (0.35) KDM4EALDH1A1POLB
SCHEMBL29588792 0.74 HTR2A (0.35) KDM4EALDH1A1POLB
SCHEMBL31405106 0.74 CES2 (0.38) CES2KDM4EALDH1A1AKT1NOTUM
SCHEMBL3620240 0.73 ALDH1A1 (0.41) KDM4EALDH1A1ERN1MAPTPOLB

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 7 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-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
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083310-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083310-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO 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 CES2 719/4885KDM4E 1473/4885ALDH1A1 127/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CES2 509/4885KDM4E 1286/4885ALDH1A1 115/4885

“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.