SCHEMBL4387550

SCHEMBL4387550

CCc1c(OCOC)cc(OCOC)c(-c2cccc(C=CC(C)=O)c2)c1CCOCCOC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
APP P05067 4/20 0.36
BACE1 P56817 4/20 0.36
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 2/20 0.33
MAPT P10636 1/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IKBKB O14920 1/20 0.31
RARA P10276 1/20 0.31

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
SCHEMBL4387549 1.00 FDPS (0.39) FDPSAPPBACE1PIM1PIM2
SCHEMBL4386573 0.87 ALDH1A1 (0.36) FDPSCYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL4385057 0.83 FFAR1 (0.38) CYP1A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4382068 0.80 EGFR (0.35) SMN1; SMN2
SCHEMBL4378253 0.76 HTR1A (0.31)
SCHEMBL4380935 0.76 EGFR (0.39) SMN1; SMN2GLA
SCHEMBL4379005 0.75 MEN1 (0.34) KDM4ESMN1; SMN2
SCHEMBL4387419 0.75 EGFR (0.38) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4384244 0.75 FYN (0.40) MAPT
SCHEMBL2862935 0.74 FYN (0.40)

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 FDPS 2911/4885APP 2244/4885BACE1 3031/4885

“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.