SCHEMBL5041398

SCHEMBL5041398

CC(Br)C(=O)Oc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KMT2A Q03164 7/20 0.35
POLB P06746 3/20 0.35
PKM P14618 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN7 P35236 1/20 0.35
BLM P54132 1/20 0.35
ESR2 Q92731 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.34

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
SCHEMBL5656608 0.82 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL8633653 0.79 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL15670569 0.79 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1TSHR
SCHEMBL4223881 0.78 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1TSHR
SCHEMBL29128596 0.78 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1TSHR
SCHEMBL15671059 0.78 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL28403676 0.77 MMP1 (0.40) MMP1MMP9MMP12ALDH1A1TSHR
SCHEMBL15670432 0.76 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1TSHR
SCHEMBL3246728 0.76 MMP1 (0.47) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL1884481 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863376-B2 Thermally controlled particulate core migration within polymer matrix THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-01-04 US disclosed
US-20080226995-A1 Having thermodynamically reversible Diels Alder bond; noncoated; tissue engineering, permeable membranes, packaging materials ARMY, UNITED STATES OF AMEICAS AS RESPRESENTED BY THE SECRETARY OF THE 2008-09-18 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-20080226995-A1 Having thermodynamically reversible Diels Alder bond; noncoated; tissue engineering, permeable membranes, packaging materials EPCAM, DBNL, DSG1 MMP1 821/4885MMP9 913/4885MMP12 2371/4885

“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.