SCHEMBL2860123

SCHEMBL2860123

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SCD O00767 1/20 0.38
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 1/20 0.37
LRRK2 Q5S007 1/20 0.36
EGFR P00533 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2859770 0.97 LMNA (0.40) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2854727 0.96 LMNA (0.45) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2854550 0.94 SLC5A7 (0.40) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2856139 0.93 F10 (0.37) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2862988 0.93 MCHR1 (0.42) LMNAKDM4ESMN1; SMN2SLC5A7MEN1
SCHEMBL2868841 0.89 LMNA (0.48) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2861679 0.88 CNR1 (0.39) TSHRCYP2D6CYP2C9MEN1KMT2A
SCHEMBL2858968 0.88 KMT2A (0.43) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2860139 0.88 LMNA (0.46) LMNATSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL2865525 0.87 KDM4E (0.39) LMNATSHRKDM4ESMN1; SMN2MEN1

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.