SCHEMBL197773

SCHEMBL197773

COC(=O)Cc1cc(OC)c(OC)cc1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
CYP3A4 P08684 2/20 0.51
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
HMGCR P04035 3/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL11800712 0.86 KDM4E (0.54) HTTCYP3A4GAANPSR1HMGCR
SCHEMBL29956152 0.84 GAA (0.61) HTTCYP3A4GAANPSR1HMGCR
SCHEMBL7829177 0.84 GAA (0.61) HTTCYP3A4GAANPSR1HMGCR
SCHEMBL29420185 0.81 CYP3A4 (0.62) CYP3A4GAAMTNR1AMTNR1BHMGCR
SCHEMBL13077135 0.80 HTT (0.50) HTTCYP3A4GAANPSR1MTNR1A
SCHEMBL5486180 0.79 CASP3 (0.58) HTTCYP3A4GAANPSR1MTNR1A
SCHEMBL14939915 0.79 KDM4E (0.46) HTTCYP3A4GAANPSR1HMGCR
SCHEMBL9990598 0.77 MTNR1A (0.60) CYP3A4MTNR1AMTNR1B
SCHEMBL1276631 0.77 HMGCR (0.58) HTTCYP3A4HMGCRKDM4E
SCHEMBL29025520 0.77 MTNR1A (0.60) CYP3A4MTNR1AMTNR1BHMGCRHSP90AB1

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 7 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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 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 (3 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 HTT 3827/4885CYP3A4 2285/4885GAA 2760/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L HTT 4811/4885CYP3A4 464/4885GAA 1316/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L HTT 4771/4885CYP3A4 629/4885GAA 1373/4885

“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.