SCHEMBL2854727

SCHEMBL2854727

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCCN3CCOCC3)c(OC)c2)c(CC(=O)N(CCOC)CCOC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 3/20 0.40
EGFR P00533 9/20 0.39
TDP1 Q9NUW8 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.96 LMNA (0.42) LMNATSHRCYP2D6CYP2C9KDM4E
SCHEMBL2859770 0.94 LMNA (0.40) LMNATSHRCYP2D6CYP2C9KDM4E
SCHEMBL2854550 0.91 SLC5A7 (0.40) LMNATSHRCYP2D6CYP2C9KDM4E
SCHEMBL2856139 0.90 F10 (0.37) LMNATSHRCYP2D6CYP2C9KDM4E
SCHEMBL2862988 0.89 MCHR1 (0.42) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2858968 0.88 KMT2A (0.43) LMNATSHRCYP2D6CYP2C9KDM4E
SCHEMBL2861679 0.88 CNR1 (0.39) TSHRCYP2D6CYP2C9TDP1MEN1
SCHEMBL2860078 0.87 KDM4E (0.46) LMNATSHRKDM4ETDP1SMN1; SMN2
SCHEMBL2865525 0.86 KDM4E (0.39) LMNATSHRKDM4ESMN1; SMN2MEN1
SCHEMBL2858197 0.86 KDM4E (0.46) TSHRCYP2D6KDM4ETDP1TLR9

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 LMNA 4283/4885TSHR 1356/4885CYP2D6 1825/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P LMNA 4283/4885TSHR 1356/4885CYP2D6 1825/4885

“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.