SCHEMBL4386573

SCHEMBL4386573

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.32
PTGER4 P35408 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
SCHEMBL4387550 0.87 FDPS (0.39) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL4387549 0.87 FDPS (0.39) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL4382068 0.84 EGFR (0.35) EGFRMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL4384874 0.82 MAOA (0.35) ALDH1A1MAPTHPGDCYP1A2CYP2D6
SCHEMBL4385057 0.81 FFAR1 (0.38) ALDH1A1MAPTCYP1A2EGFRBRD4
SCHEMBL2865483 0.80 BRD4 (0.33) ALDH1A1MAPTHPGDCYP1A2CYP2D6
SCHEMBL4384192 0.80 EGFR (0.34) EGFR
SCHEMBL4379005 0.79 MEN1 (0.34) EGFRMEN1KMT2AL3MBTL1LMNA
SCHEMBL4379642 0.78 EGFR (0.37) MAPTEGFR
SCHEMBL4378253 0.78 HTR1A (0.31)

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 3520/4885MAPT 2443/4885HPGD 3238/4885

“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.