SCHEMBL2859707

SCHEMBL2859707

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC(C)C)cc2)c(CC(=O)N(CCO)CCOC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
TSPO P30536 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
SCHEMBL2857171 0.95 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2ANPC1POLB
SCHEMBL5495751 0.89 KDM4E (0.35) KDM4ENPC1POLBMAPTRAB9A
SCHEMBL2861223 0.88 MAPT (0.43) ALDH1A1KDM4EKMT2ANPC1POLB
SCHEMBL2863062 0.87 KDM4E (0.34) KDM4ETLR9TLR8TLR7
SCHEMBL2860112 0.87 SMN1; SMN2 (0.38) ALDH1A1KDM4EKMT2ANPC1MAPT
SCHEMBL2863530 0.86 MAPT (0.42) ALDH1A1KDM4EKMT2ANPC1POLB
SCHEMBL2854827 0.86 KDM4E (0.33) KDM4ETLR9TLR8TLR7
SCHEMBL2863717 0.85 KDM4E (0.40) ALDH1A1KDM4EKMT2APOLBMAPT
SCHEMBL2857247 0.85 KDM4E (0.40) ALDH1A1KDM4EKMT2APOLBRAB9A
SCHEMBL2854406 0.85 KDM4E (0.39) ALDH1A1KDM4ETLR9TLR8TLR7

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
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 ALDH1A1 2940/4885KDM4E 2968/4885KMT2A 3681/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885KDM4E 2968/4885KMT2A 3681/4885

“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.