SCHEMBL1547575

SCHEMBL1547575

C[CH]Oc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 8/20 0.39
HSPB1 P04792 3/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL1547855 0.83 CA3 (0.38) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL98914 0.78 ALDH1A1 (0.43) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL9545003 0.78 HSPB1 (0.39) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL1321164 0.77 NFE2L2 (0.48) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL29366053 0.75 LMNA (0.53) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL197204 0.75 LMNA (0.53) ALDH1A1MEN1HPGDKMT2APOLB
SCHEMBL10456772 0.74 TRPA1 (0.56) ALDH1A1TRPA1HSPB1
SCHEMBL1342628 0.72 AKR1B1 (0.32)
SCHEMBL27583374 0.72 HSPB1 (0.50) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL13177071 0.71 TRPA1 (0.41) ALDH1A1MEN1HPGDKMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311816-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2311817-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2308858-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
US-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 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-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL CYP4X1, PRDX5, PRDX1 ALDH1A1 1299/4885MEN1 4632/4885HPGD 2814/4885

“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.