SCHEMBL5041397

SCHEMBL5041397

CC(Br)(C(=O)O)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 4/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
PTPN1 P18031 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
PTPN7 P35236 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2C19 P33261 3/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL28529969 0.82 KMT2A (0.46) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL27964089 0.82 MAPT (0.44) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL9402238 0.82 MAPT (0.44) MAPTKMT2APOLBMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9402285 0.80 MAPT (0.43) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL8478567 0.79 PTPN1 (0.42) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL637383 0.78 MAPT (0.42) MAPTKMT2APOLBMEN1ALDH1A1
Bromomethane SCHEMBL6308629 0.78 MAPT (0.42) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL3513098 0.78 MAPT (0.42) MAPTKMT2APOLBMEN1ALDH1A1
Bicarbonate SCHEMBL28968865 0.78 MAPT (0.49) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL2075002 0.75 PTPN1 (0.42) MAPTKMT2APOLBMEN1ALDH1A1

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 MAPT 1290/4885KMT2A 3827/4885POLB 3633/4885

“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.