SCHEMBL2863788

SCHEMBL2863788

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCC3CCCCO3)c(OC)c2)c(CC(=O)N(CCOC)CCOC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PTPN1 P18031 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL2866419 0.85 KDM4E (0.46) KDM4EALDH1A1TDP1TLR9TLR8
SCHEMBL2858197 0.85 KDM4E (0.46) RAB9AKDM4EALDH1A1TDP1TLR9
SCHEMBL2860078 0.84 KDM4E (0.46) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2865268 0.83 KDM4E (0.45) KDM4EALDH1A1TDP1TLR9TLR8
SCHEMBL2865029 0.83 KDM4E (0.45) RAB9AKDM4EALDH1A1TDP1TLR9
SCHEMBL2860123 0.82 LMNA (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2859160 0.82 KDM4E (0.46) KDM4EALDH1A1TDP1TLR9TLR8
SCHEMBL2862988 0.82 MCHR1 (0.42) KDM4ELMNATLR9TLR8TLR7
SCHEMBL2854727 0.82 LMNA (0.45) NPC1RAB9AKDM4ELMNATDP1
SCHEMBL2859118 0.82 KDM4E (0.45) KDM4EALDH1A1TDP1TLR9TLR8

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 NPC1 1079/4885RAB9A 1598/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P NPC1 1079/4885RAB9A 1598/4885KDM4E 2968/4885

“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.