SCHEMBL26430723

SCHEMBL26430723

C[C@@H](O)C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TRPA1 O75762 1/20 0.38
ACHE P22303 1/20 0.38
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19435369 1.00 AOC3 (0.44) AOC3IDO1TDO2HTTHDAC3
SCHEMBL17894162 1.00 AOC3 (0.44) AOC3IDO1TDO2HTTHDAC3
SCHEMBL26430183 0.91 ACHE (0.54) AOC3ACHEALDH1A1DRD2DRD4
SCHEMBL26430202 0.91 ACHE (0.54) AOC3ACHEALDH1A1DRD2DRD4
SCHEMBL26321836 0.91 ACHE (0.54) AOC3ACHEALDH1A1DRD2DRD4
SCHEMBL30211236 0.88 USP2 (0.41) AOC3KDM4EALDH1A1
SCHEMBL15050864 0.80 AOC3 (0.44) AOC3IDO1TDO2HTTHDAC3
SCHEMBL15050397 0.80 AOC3 (0.44) AOC3IDO1TDO2HTTHDAC3
SCHEMBL15050395 0.80 AOC3 (0.44) AOC3IDO1TDO2HTTHDAC3
SCHEMBL17086688 0.80 AOC3 (0.44) AOC3IDO1TDO2HTTHDAC3

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-11639334-B2 Methods for synthesis of oxypicolinamides CORTEVA AGRISCIENCE LLC (US) 2023-05-02 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-11639334-B2 Methods for synthesis of oxypicolinamides CYP51A1, CYP4X1, CYP4F3 AOC3 132/4885IDO1 288/4885TDO2 186/4885

“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.