SCHEMBL4387515

SCHEMBL4387515

CCc1c(O)cc(O)c(-c2cccs2)c1CCOCCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KDM4E B2RXH2 2/20 0.32
DPP4 P27487 2/20 0.31
RPS6KB2 Q9UBS0 1/20 0.31
ERN1 O75460 1/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 1/20 0.31
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4386674 0.80 ESR1 (0.39) ALDH1A1POLB
SCHEMBL2858221 0.77 ALDH1A1 (0.41) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4384123 0.77 ESR1 (0.41) POLB
SCHEMBL4387349 0.76 ALDH1A1 (0.34) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL15225953 0.75
SCHEMBL15225952 0.75
SCHEMBL4377963 0.72 CNR2 (0.39) POLB
SCHEMBL4391973 0.72 CNR2 (0.39) ALDH1A1POLB
SCHEMBL4383767 0.72 ESR1 (0.35) POLBTDP1
SCHEMBL4385061 0.72 PDE5A (0.39) LMNAALDH1A1POLBMEN1KMT2A

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 LMNA 4706/4885ALDH1A1 3520/4885POLB 3913/4885

“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.