SCHEMBL2860139

SCHEMBL2860139

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c(CC(=O)OC)c1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 2/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
EGFR P00533 3/20 0.40
SCD O00767 1/20 0.40
ALDH1A1 P00352 1/20 0.39
QPCT Q16769 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 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
SCHEMBL2858800 0.97 SLC5A7 (0.46) LMNATSHRKDM4ESMN1; SMN2SLC5A7
SCHEMBL2868841 0.93 LMNA (0.48) LMNATSHRKDM4ESMN1; SMN2SLC5A7
SCHEMBL2864847 0.90 LMNA (0.44) LMNATSHRKDM4ESMN1; SMN2SLC5A7
SCHEMBL2860123 0.88 LMNA (0.42) LMNATSHRKDM4ESMN1; SMN2SLC5A7
SCHEMBL2859770 0.86 LMNA (0.40) LMNATSHRKDM4ESMN1; SMN2SLC5A7
SCHEMBL2861258 0.85 KDM4E (0.51) TSHRKDM4ECYP2D6CYP2C9TLR8
SCHEMBL2866507 0.85 KDM4E (0.51) LMNATSHRKDM4ECYP2D6CYP2C9
SCHEMBL2859968 0.85 KDM4E (0.54) LMNATSHRKDM4ECYP2D6CYP2C9
SCHEMBL2854727 0.85 LMNA (0.45) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2854550 0.83 SLC5A7 (0.40) LMNATSHRKDM4ESMN1; SMN2SLC5A7

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 1356/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P LMNA 4283/4885TSHR 1356/4885KDM4E 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.