SCHEMBL7064592

SCHEMBL7064592

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 1/20 0.50
PARP15 Q460N3 1/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PTGES O14684 1/20 0.48
POLB P06746 1/20 0.48
SMPD1 P17405 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL26768249 0.89 ALDH1A1 (0.53) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL24379272 0.87 MAOB (0.58) MAOBALDH1A1KMT2AMEN1PARP15
SCHEMBL24379277 0.87 ALDH1A1 (0.51) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL7373666 0.87 ALDH1A1 (0.61) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL4943007 0.85 MAOB (0.58) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL31336015 0.85 MAOB (0.58) MAOBALDH1A1TDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL9440732 0.85 MAOB (0.58) MAOBALDH1A1KMT2AMEN1NR4A2
SCHEMBL4200621 0.85 MAOB (0.71) MAOBALDH1A1TDP1KMT2AMEN1
SCHEMBL10750881 0.84 MAOB (0.74) MAOBTDP1L3MBTL1
SCHEMBL9440720 0.84 MAOB (0.57) MAOBALDH1A1KMT2AMEN1NR4A2

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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 MAOB 253/4885ALDH1A1 299/4885TDP1 516/4885

“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.