SCHEMBL4383975

SCHEMBL4383975

COC(=O)Cc1cc(O)cc(O)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
PELI1 Q96FA3 3/20 0.44
SLC6A4 P31645 1/20 0.44
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4388539 0.81 HSP90AB1 (0.46) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL4382035 0.81 HDAC4 (0.46) ALDH1A1KDM4ESMN1; SMN2TSHRHPGD
SCHEMBL4384676 0.80 CFD (0.42) ALDH1A1MEN1KMT2AABCB1ABCC1
SCHEMBL4390501 0.80 CNR2 (0.48) ALDH1A1GAAKDM4EL3MBTL1RAB9A
SCHEMBL4386486 0.79 ACLY (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4389848 0.79 VEGFA (0.47) ALDH1A1GAAMAPK1
SCHEMBL4388872 0.78 CNR2 (0.49)
SCHEMBL4387490 0.78 CFD (0.40) ALDH1A1GAAKDM4EHPGDMAPK1
SCHEMBL4379573 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AABCB1ABCC1
SCHEMBL4378621 0.76 HSP90AB1 (0.40) ALDH1A1MAPTGAAKDM4EL3MBTL1

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 ALDH1A1 3520/4885MEN1 4784/4885KMT2A 3994/4885

“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.