SCHEMBL2860198

SCHEMBL2860198

C=CCOc1cc(CCOCCO)c(CC)c(OCC=C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.33
FLT3 P36888 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PTPN1 P18031 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL2868816 0.88 ALDH1A1 (0.38) ALDH1A1LMNAFLT3KDM4EMAPK1
SCHEMBL2864972 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2862910 0.73 FLT3 (0.41) ALDH1A1LMNAFLT3KDM4EMAPT
SCHEMBL2854655 0.73 FLT3 (0.42) ALDH1A1LMNAFLT3KDM4EMAPT
SCHEMBL2858319 0.73 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EMAPK1HPGD
SCHEMBL2867411 0.72
SCHEMBL2862394 0.70 KDM4E (0.34) FLT3KDM4EMAPTL3MBTL1PTPN1
SCHEMBL2862382 0.70 KDM4E (0.34) ALDH1A1KDM4EMAPTHPGD
SCHEMBL2857137 0.70 LMNA (0.31) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL2865483 0.70 BRD4 (0.33) ALDH1A1LMNAKDM4EMAPTHPGD

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 ALDH1A1 2940/4885LMNA 4283/4885FLT3 1075/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885LMNA 4283/4885FLT3 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.