SCHEMBL2861223

SCHEMBL2861223

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2863530 0.91 MAPT (0.42) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2854652 0.90 MCHR1 (0.36) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2866295 0.90 KDM4E (0.36) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2865525 0.89 KDM4E (0.39) MAPTSMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL2865069 0.89 KDM4E (0.35) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL5495751 0.88 KDM4E (0.35) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2855832 0.88 KDM4E (0.35) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2859707 0.88 ALDH1A1 (0.35) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL2860397 0.87 KDM4E (0.42) POLBRAB9AKDM4ETLR9TLR8
SCHEMBL2863062 0.86 KDM4E (0.34) KDM4ETLR9TLR8TLR7

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 MAPT 1791/4885NPC1 1079/4885POLB 4195/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885NPC1 1079/4885POLB 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.