SCHEMBL2220595

SCHEMBL2220595

CCC(Br)C(=O)NC(C)(C)COC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2223302 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AZDHHC7
SCHEMBL2223240 0.81
SCHEMBL2224950 0.79 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL14085838 0.77 SMN1; SMN2 (0.33) KMT2ACA1CA2
SCHEMBL6485296 0.77 ALDH1A1 (0.40) ALDH1A1KMT2AZDHHC7CA1CA2
SCHEMBL2863347 0.73 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL27468857 0.71 ALDH1A1 (0.39) ALDH1A1KMT2A
SCHEMBL16889109 0.71 ALDH1A1 (0.39) ALDH1A1KMT2A
SCHEMBL3509070 0.70 DPP4 (0.31)
SCHEMBL14110863 0.70 PKM (0.35) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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 (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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 ALDH1A1 1771/4885KMT2A 1406/4885ZDHHC7 1653/4885

“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.