SCHEMBL4380957

SCHEMBL4380957

COCOc1cc(CC(=O)OC)c(-c2ccc(CN(CCCN3CCOCC3)C(C)=O)o2)c(OCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 7/20 0.36
HTT P42858 6/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACKR3 P25106 1/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ROCK2 O75116 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 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
SCHEMBL4386867 0.85 HTT (0.39) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL4381665 0.84 LMNA (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2POLB
SCHEMBL4385587 0.83 NPSR1 (0.37) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL4384303 0.78 SMN1; SMN2 (0.39) ALDH1A1KDM4EKMT2ASMN1; SMN2POLB
SCHEMBL4386984 0.78 CYP3A4 (0.35) ALDH1A1KDM4EGAAHSD17B10PKM
SCHEMBL4380961 0.77 CASR (0.38) ALDH1A1TSHRUSP2KMT2AACKR3
SCHEMBL4379079 0.76 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL4379012 0.75 HDAC3 (0.34) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL4382486 0.75 MTNR1A (0.34) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL4387636 0.75 ALDH1A1 (0.35) ALDH1A1KDM4EHTTTSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P ALDH1A1 3520/4885KDM4E 3223/4885LMNA 4706/4885

“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.