SCHEMBL2862988

SCHEMBL2862988

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCN3CCCCC3)c(OC)c2)c(CC(=O)N(CCOC)CCOC)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 2/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
ASF1A Q9Y294 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2860123 0.93 LMNA (0.42) POLBKDM4ELMNASMN1; SMN2TLR9
SCHEMBL2859770 0.90 LMNA (0.40) POLBKDM4ELMNASMN1; SMN2TLR9
SCHEMBL2854727 0.89 LMNA (0.45) KDM4ELMNASMN1; SMN2TLR9TLR7
SCHEMBL2856139 0.88 F10 (0.37) KDM4ELMNASMN1; SMN2F10MEN1
SCHEMBL2858197 0.88 KDM4E (0.46) MCHR1KDM4ETLR9TLR7ACHE
SCHEMBL2854550 0.87 SLC5A7 (0.40) KDM4ELMNASMN1; SMN2F10TLR9
SCHEMBL2866419 0.87 KDM4E (0.46) POLBKDM4ETLR9TLR7HPGD
SCHEMBL2860078 0.87 KDM4E (0.46) KDM4ELMNASMN1; SMN2TLR9TLR7
SCHEMBL2865268 0.86 KDM4E (0.45) KDM4ETLR9TLR7ACHEHPGD
SCHEMBL2865029 0.86 KDM4E (0.45) MCHR1KDM4ETLR9TLR7ACHE

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 2414/4885POLB 4195/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MCHR1 2414/4885POLB 4195/4885KDM4E 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.