SCHEMBL4389613

SCHEMBL4389613

O=C(c1ccccc1)c1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
CNR1 P21554 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL4387282 0.86 PRNP (0.42) CNR2CNR1LMNA
SCHEMBL4392519 0.83 RAB9A (0.39) L3MBTL1POLBALDH1A1TDP1GAA
SCHEMBL4389590 0.80 LMNA (0.50) CNR2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4390351 0.80 GSK3B (0.40) CNR2CNR1SMN1; SMN2ALDH1A1GAA
SCHEMBL4385905 0.80 ALDH1A1 (0.43) CNR2CNR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4381542 0.80 SMN1; SMN2 (0.44) CNR2CNR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4380841 0.75 EGFR (0.49) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL27415815 0.74 ALDH1A1 (0.52) CNR2CNR1L3MBTL1POLBSMN1; SMN2
SCHEMBL4384039 0.74 PDE4B (0.47) L3MBTL1ALDH1A1TDP1MEN1KMT2A
SCHEMBL28221491 0.73 PDE4B (0.46) CNR2CNR1MEN1KMT2A

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CNR2 1898/4885CNR1 614/4885L3MBTL1 3218/4885

“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.