SCHEMBL2862939

SCHEMBL2862939

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)c(OCCOC3CCCCO3)c2)c(CC(=O)OC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
KDM4E B2RXH2 2/20 0.37
PDE4B Q07343 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F10 P00742 2/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CREBBP Q92793 1/20 0.34
SMPD1 P17405 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ROCK2 O75116 1/20 0.32

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
SCHEMBL2863523 0.97 KDM4E (0.41) PTPN1KDM4EPDE4BMEN1KMT2A
SCHEMBL2856150 0.84 KDM4E (0.46) KDM4EPDE4BMEN1KMT2ASMPD1
SCHEMBL2859385 0.82 KDM4E (0.46) KDM4EPDE4BTLR8TLR7SMPD1
SCHEMBL2859968 0.82 KDM4E (0.54) KDM4EPDE4BMEN1KMT2ALMNA
SCHEMBL2866507 0.81 KDM4E (0.51) KDM4EPDE4BMEN1KMT2ALMNA
SCHEMBL2861716 0.81 KDM4E (0.45) KDM4EPDE4BMEN1KMT2ALMNA
SCHEMBL2858800 0.80 SLC5A7 (0.46) KDM4EPDE4BLMNATLR8TLR7
SCHEMBL2861258 0.79 KDM4E (0.51) KDM4EPDE4BMEN1KMT2ATLR8
SCHEMBL2862941 0.79 KDM4E (0.36) PTPN1KDM4EPDE4BMEN1KMT2A
SCHEMBL2861686 0.78 KDM4E (0.47) PTPN1KDM4EPDE4BMEN1KMT2A

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 PTPN1 828/4885KDM4E 2968/4885PDE4B 4345/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PTPN1 828/4885KDM4E 2968/4885PDE4B 4345/4885

“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.