SCHEMBL4324522

SCHEMBL4324522

CCc1c(OCOC)ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c1CCOC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LSS P48449 2/20 0.37
SRD5A2 P31213 1/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2855790 0.85 MAPT (0.43) MAPTMAPK1POLBTDP1NPSR1
SCHEMBL27634765 0.84 MAPT (0.43) MAPTMAPK1POLBNPSR1KDM4E
SCHEMBL2865059 0.73 GAA (0.42) MAPTMAPK1POLBTDP1NPSR1
SCHEMBL2868679 0.73 MAPT (0.40) MAPTTDP1NPSR1KDM4EALDH1A1
SCHEMBL15225636 0.71 ABCB1 (0.43) MAPTMAPK1KDM4EGAAALDH1A1
SCHEMBL27634759 0.71 MAPT (0.43) MAPTMAPK1POLBNPSR1KDM4E
SCHEMBL6032170 0.71 MAPT (0.43) MAPTMAPK1POLBNPSR1KDM4E
SCHEMBL2864802 0.69 ALDH1A1 (0.40) MAPTMAPK1NPSR1KDM4EHTT
SCHEMBL2857509 0.68 EGFR (0.39) MAPTMAPK1POLBKDM4EHTT
SCHEMBL25229750 0.67 MAPT (0.56) MAPTMAPK1POLBTDP1NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885MAPK1 708/4885POLB 4195/4885

“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.