SCHEMBL4384221

SCHEMBL4384221

CCc1c(O)cc(O)c(-c2ccccc2)c1CCC(=O)NCCNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 5/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4386636 0.89 CNR2 (0.45) HPGDGAAMAPTLMNATRPV1
SCHEMBL4386191 0.80 POLB (0.42) MAPTKDM4EPOLB
SCHEMBL4387790 0.78 KDM4E (0.38) HPGDMAPTHSD17B10KDM4EALDH1A1
SCHEMBL4390425 0.77 MTNR1A (0.41) HPGDLMNAMTNR1AMTNR1BPOLB
SCHEMBL4396284 0.74 CNR2 (0.40) GAAKDM4EALDH1A1
SCHEMBL4387388 0.74 ESR1 (0.44) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL4387546 0.73 HPGD (0.42) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL4389162 0.73 L3MBTL1 (0.41) GAAMAPTALDH1A1LMNATRPV1
SCHEMBL4389478 0.72 CNR2 (0.39) KDM4EPOLBKMT2A
SCHEMBL4386943 0.72 ESR1 (0.42) HPGDKDM4EPOLB

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 HPGD 3238/4885GAA 3950/4885MAPT 2443/4885

“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.