SCHEMBL2854652

SCHEMBL2854652

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
KDM4E B2RXH2 3/20 0.36
FLT3 P36888 1/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
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
LMNA P02545 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL2866295 0.93 KDM4E (0.36) KDM4EFLT3PKMALDH1A1HPGD
SCHEMBL2866492 0.91 KDM4E (0.44) MCHR1KDM4EALDH1A1TLR9TLR8
SCHEMBL2861223 0.90 MAPT (0.43) KDM4EALDH1A1HPGDTLR9TLR8
SCHEMBL2865069 0.90 KDM4E (0.35) KDM4EFLT3PKMALDH1A1HPGD
SCHEMBL2861679 0.85 CNR1 (0.39) ALDH1A1CYP1A2CYP2D6CYP3A4MEN1
SCHEMBL2860397 0.85 KDM4E (0.42) KDM4ETLR9TLR8TLR7POLB
SCHEMBL2855832 0.84 KDM4E (0.35) KDM4EPKMTLR9TLR8TLR7
SCHEMBL5495751 0.84 KDM4E (0.35) KDM4ETLR9TLR8TLR7NPC1
SCHEMBL2859707 0.84 ALDH1A1 (0.35) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL2860266 0.84 KDM4E (0.44) KDM4ETLR9TLR8TLR7CYP1A2

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 MCHR1 2414/4885KDM4E 2968/4885FLT3 1075/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MCHR1 2414/4885KDM4E 2968/4885FLT3 1075/4885

“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.