SCHEMBL3619586

SCHEMBL3619586

COC(=O)c1c(O)cc(O)cc1COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
HSP90AA1 P07900 9/20 0.49
CYP3A4 P08684 1/20 0.49
ACHE P22303 1/20 0.49
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL3624720 0.81 TSHR (0.48) LMNAHPGDHSP90AA1GAAMAPT
SCHEMBL3618598 0.81 SGMS2 (0.46) LMNAHPGDGAAMAPTALDH1A1
SCHEMBL3621628 0.79 TAAR1 (0.49) GAAMAPTL3MBTL1SLC5A1SLC5A2
SCHEMBL3619650 0.78 HSP90AA1 (0.63) HSP90AA1
SCHEMBL3615074 0.77 HSP90AA1 (0.50) LMNAHPGDHSP90AA1GAAMAPT
SCHEMBL28599428 0.77 CYP3A4 (0.62) HPGDCYP3A4ACHETDP1CA12
SCHEMBL31643383 0.77 LMNA (0.64) LMNAHPGDGAAMAPTALDH1A1
SCHEMBL23978825 0.75 ALDH1A1 (0.49) LMNAHPGDHSP90AA1GAAMAPT
SCHEMBL16191480 0.74 TDP1 (0.79) LMNAHPGDHSP90AA1CYP3A4GAA
SCHEMBL23051550 0.74 ALDH1A1 (0.42) LMNAHPGDHSP90AA1CYP3A4GAA

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-7781485-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-24 US disclosed
US-20070265268-A1 Hsp90 Family protein Inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-15 US disclosed
EP-1813270-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 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-20070265268-A1 Hsp90 Family protein Inhibitors HSPA4L, HSP90AB1, HSP90B1 LMNA 4372/4885HPGD 2159/4885HSP90AA1 4/4885

“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.