SCHEMBL4382891

SCHEMBL4382891

CCc1c(O)cc(O)c(-c2ccccc2)c1CCCOCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
CNR2 P34972 1/20 0.36
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
AGTR1 P30556 1/20 0.35
GCGR P47871 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PDE4B Q07343 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
VDR P11473 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4392407 0.93 CYP1A2 (0.36) USP2CNR2CYP1A2KDM4ELMNA
SCHEMBL4391973 0.85 CNR2 (0.39) CNR2GCGRESR1ESR2PDE4B
SCHEMBL4383767 0.85 ESR1 (0.35) CNR2GCGRESR1ESR2PDE4B
SCHEMBL4388332 0.83 CNR2 (0.40) CNR2GCGRESR1ESR2PDE4B
SCHEMBL4387012 0.83 ESR1 (0.39) USP2CNR2CYP1A2LMNAAGTR1
SCHEMBL4377955 0.82 CNR2 (0.38) CNR2GCGRESR1ESR2PDE4B
SCHEMBL4382721 0.81 USP7 (0.36) USP2CNR2CYP1A2LMNAAGTR1
SCHEMBL4377963 0.81 CNR2 (0.39) CNR2GCGRESR1ESR2PDE4B
SCHEMBL4388631 0.80 TSHR (0.46) CNR2CYP1A2KDM4ELMNAAGTR1
SCHEMBL4381573 0.80 CNR2 (0.37) CNR2GCGRESR1ESR2PDE4B

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 USP2 2258/4885CNR2 1898/4885CYP1A2 1290/4885

“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.