SCHEMBL2856174

SCHEMBL2856174

CCOc1ccc(C(=O)c2c(O)cc(O)c(CC)c2CC(=O)N(CCOC)CCN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
UBE2N P61088 1/20 0.40
THRA P10827 1/20 0.39

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
SCHEMBL2866538 0.94 KMT2A (0.43) GAAALDH1A1KMT2ATSHR
SCHEMBL2860212 0.91 SMN1; SMN2 (0.39) KDM4EGAASMN1; SMN2HRH3ALDH1A1
SCHEMBL2871431 0.88 KMT2A (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2861701 0.87 KMT2A (0.44) ALDH1A1KMT2ATSHRHTT
Kw-2478 Free Base SCHEMBL2860089 0.85 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2ALDH1A1LMNA
Kw-2478 Free Base SCHEMBL29349763 0.85 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2ALDH1A1LMNA
Kw-2478 Free Base SCHEMBL29617983 0.85 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL2862377 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10L3MBTL1HPGD
Kw-2478 Free Base SCHEMBL2862975 0.84 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL2860015 0.84 CYP2D6 (0.46) KDM4EGAASMN1; SMN2HRH3ALDH1A1

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 7 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 claimed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US 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
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 (2 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 KDM4E 2968/4885GAA 1593/4885SMN1; SMN2 4682/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885GAA 1593/4885SMN1; SMN2 4682/4885

“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.