SCHEMBL4387282

SCHEMBL4387282

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
HTT P42858 1/20 0.41
AKR1C4 P17516 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ACMSD Q8TDX5 3/20 0.41
HNF4A P41235 3/20 0.41
DHFR P00374 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL4392519 0.86 RAB9A (0.39) RXFP1AKR1C3AKR1C2AKR1C1HTT
SCHEMBL4389613 0.86 CNR2 (0.48) LMNACNR1CNR2
SCHEMBL4381542 0.82 SMN1; SMN2 (0.44) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL4389590 0.82 LMNA (0.50) PPARGNR2E3NCOR2HTTCA12
SCHEMBL4390351 0.82 GSK3B (0.40) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL4385905 0.82 ALDH1A1 (0.43) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2113602 0.78 CA1 (0.44) AKR1C3AKR1C2AKR1C1AKR1C4CA12
SCHEMBL4380841 0.78 EGFR (0.49)
SCHEMBL4384039 0.77 PDE4B (0.47) AKR1C3AKR1C2AKR1C1HTTAKR1C4
SCHEMBL11273572 0.77 LMNA (0.43) PRNPPPARGRXFP1NR2E3NCOR2

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 PRNP 888/4885PPARG 1775/4885RXFP1 2844/4885

“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.