SCHEMBL2862910

SCHEMBL2862910

C=CCOc1cc(CC(=O)OC)c(CC)c(OCC=C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.38
PTPN1 P18031 3/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.35
MTNR1A P48039 2/20 0.35
LIG1 P18858 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2866299 0.82 FLT3 (0.39) FLT3KDM4EALDH1A1PTPN1MAPT
SCHEMBL2858252 0.80 BACE1 (0.35) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL2868816 0.79 ALDH1A1 (0.38) FLT3KDM4EALDH1A1PTPN1MAPT
SCHEMBL2861681 0.76 FLT3 (0.47) FLT3KDM4EALDH1A1PTPN1MAPT
SCHEMBL4381103 0.75 MTNR1A (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2857252 0.75 HSP90AB1 (0.50) FLT3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2859125 0.75 KDM4E (0.42) FLT3KDM4EALDH1A1PTPN1MAPT
SCHEMBL2860198 0.73 ALDH1A1 (0.34) FLT3KDM4EALDH1A1PTPN1MAPT
SCHEMBL2854661 0.73 ALDH1A1 (0.34) FLT3KDM4EALDH1A1PTPN1MAPT
SCHEMBL2858286 0.72 KDM4E (0.44) FLT3KDM4EALDH1A1PTPN1MAPT

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 FLT3 1075/4885KDM4E 2968/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P FLT3 1075/4885KDM4E 2968/4885ALDH1A1 2940/4885

“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.