SCHEMBL167776

SCHEMBL167776

COc1ccc(CC(=O)NCCc2ccc(C3CC3)c(OC)c2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
EPHX1 P07099 1/20 0.57
USP2 O75604 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL127930 0.90 CA1 (0.53) CA1CA2L3MBTL1ALDH1A1
SCHEMBL30738251 0.89 CA1 (0.79) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL248400 0.89 CA1 (0.79) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL21346113 0.85 CA1 (0.73) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL21346179 0.85 CA1 (0.73) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL21346474 0.84 CA1 (0.72) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL2742529 0.83 CA1 (0.82) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL2742531 0.83 CA1 (0.78) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL6375216 0.82 ALDH1A1 (0.73) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL4025074 0.82 ALDH1A1 (0.73) CA1CA2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (2 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 1379/4885L3MBTL1 347/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 4003/4885CA2 1626/4885L3MBTL1 304/4885

“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.