SCHEMBL4385587

SCHEMBL4385587

COC(=O)Cc1cc(O)cc(O)c1-c1ccc(CN(CCCN2CCOCC2)C(C)=O)o1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 6/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 3/20 0.36
ACKR3 P25106 1/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TACR2 P21452 1/20 0.35
CASR P41180 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4380957 0.83 ALDH1A1 (0.36) NPSR1LMNATSHRALDH1A1HTT
SCHEMBL4386133 0.83 LMNA (0.52) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4384657 0.82 HTT (0.43) NPSR1LMNAALDH1A1HTTPOLB
SCHEMBL4384965 0.75 ALDH1A1 (0.43) NPSR1ALDH1A1POLBGAAKDM4E
SCHEMBL4385596 0.75 CASR (0.40) NPSR1LMNATSHRALDH1A1ACKR3
SCHEMBL4392305 0.74 KDM4E (0.40) ALDH1A1POLBGAAMAPTKDM4E
SCHEMBL4395260 0.73 ALDH1A1 (0.41) ALDH1A1POLBGAAMAPTKDM4E
SCHEMBL4388212 0.72 ALDH1A1 (0.40) NPSR1ALDH1A1POLBGAAMAPT
SCHEMBL4389601 0.71 ALDH1A1 (0.38) LMNATSHRALDH1A1HTTPOLB
SCHEMBL4389553 0.71 EGFR (0.40) ALDH1A1POLBGAAMAPTKDM4E

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 NPSR1 331/4885LMNA 4706/4885TSHR 487/4885

“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.