SCHEMBL3763568

SCHEMBL3763568

[O]c1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
PDE3A Q14432 1/20 0.43
EPHX1 P07099 1/20 0.39
PGK1 P00558 1/20 0.37
KDM4A O75164 2/20 0.36
KDM5A P29375 2/20 0.36
GRIA1 P42261 3/20 0.36
CACNG8 Q8WXS5 3/20 0.36
KMO O15229 2/20 0.35
SLC22A12 Q96S37 2/20 0.35
KCNN4 O15554 1/20 0.35
GRIN2B Q13224 1/20 0.35
EPHX2 P34913 1/20 0.34
SLC1A5 Q15758 1/20 0.34
CNR2 P34972 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
SCHEMBL2088614 0.84 KMO (0.44) NOTUMPGK1KMOGRIN2BEPHX2
SCHEMBL3026636 0.81 EPHX2 (0.41) KMOEPHX2SLC1A5
SCHEMBL8462016 0.78 NOTUM (0.44) NOTUMPDE3AEPHX1PGK1GRIA1
SCHEMBL11910291 0.76 MAPT (0.46) NOTUMPDE3AEPHX1PGK1SLC1A5
SCHEMBL20309113 0.76 NOTUM (0.43) NOTUMPDE3AEPHX1PGK1KDM4A
SCHEMBL1416864 0.76 NOTUM (0.43) NOTUMPDE3AEPHX1PGK1KDM4A
SCHEMBL10933173 0.76 NOTUM (0.43) NOTUMPDE3A
SCHEMBL363418 0.76 HSD17B10 (0.46) NOTUMPDE3AEPHX1PGK1KDM4A
SCHEMBL1555931 0.76 CYP3A4 (0.46) NOTUMPDE3AEPHX1PGK1KDM4A
SCHEMBL15568786 0.76 NOTUM (0.43) NOTUMPDE3AEPHX1PGK1KDM4A

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT NOTUM 204/4885PDE3A 218/4885EPHX1 1572/4885

“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.