SCHEMBL217168

SCHEMBL217168

Bc1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
LMNA P02545 1/20 0.51
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL6381209 0.92 CA1 (0.61) CA1CA2POLBKMT2AMEN1
SCHEMBL148633 0.87 KMT2A (0.58) CA1CA2POLBKMT2AMEN1
SCHEMBL6788690 0.85 POLB (0.68) CA1CA2POLBKMT2AMEN1
SCHEMBL11444921 0.83 LMNA (0.61) CA1CA2POLBKMT2AMEN1
SCHEMBL6376716 0.83 MEN1 (0.79) CA1CA2POLBKMT2AMEN1
SCHEMBL248400 0.82 CA1 (0.79) CA1CA2KMT2AMEN1L3MBTL1
SCHEMBL30738251 0.82 CA1 (0.79) CA1CA2KMT2AMEN1L3MBTL1
SCHEMBL6377354 0.82 MEN1 (0.66) CA1CA2POLBKMT2AMEN1
SCHEMBL147264 0.82 SMN1; SMN2 (0.57) CA1CA2POLBKMT2AMEN1
SCHEMBL6378383 0.80 MEN1 (0.79) CA1CA2KMT2AMEN1CYP1A2

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-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 3802/4885CA2 1379/4885POLB 2698/4885

“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.