SCHEMBL9988698

SCHEMBL9988698

COc1cc(CC(NC(C)=O)OC)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
ACACB O00763 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
ALDH1A1 P00352 3/20 0.41
FOS P01100 1/20 0.39
TTR P02766 1/20 0.39
JUN P05412 1/20 0.39
NR3C1 P04150 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL9186977 0.87 LDHA (0.59) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL148634 0.84 ABL1 (0.52) LDHAMEN1KMT2AABL1RIN1
SCHEMBL17144912 0.77 LDHA (0.60) LDHAACACBMEN1KMT2AABL1
SCHEMBL23997386 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL30336782 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL16428955 0.74 ALDH1A1 (0.51) LDHAALDH1A1FOSTTRJUN
SCHEMBL11300831 0.73 LDHA (0.59) LDHAACACBMEN1KMT2AALDH1A1
SCHEMBL14812349 0.73 MTNR1A (0.60) ALDH1A1MTNR1AMTNR1B
SCHEMBL28745588 0.73 GAA (0.50) LDHAMEN1KMT2AABL1RIN1
SCHEMBL27618563 0.73 GABRA1 (0.52) LDHAFOSTTRJUNNR3C1

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 LDHA 4451/4885ACACB 4833/4885MEN1 2051/4885

“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.