SCHEMBL4392076

SCHEMBL4392076

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1Cc1nc(C(=O)OC)co1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.46
DAGLA Q9Y4D2 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NOTUM Q6P988 1/20 0.40
KLKB1 P03952 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CACNA1G O43497 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4396537 0.83 PTGER1 (0.38) PTGER1
SCHEMBL4380278 0.76 HPGD (0.42) PTGER1LMNAHPGD
SCHEMBL5120614 0.75 PTGER1 (0.78) PTGER1
SCHEMBL11910637 0.75 DAGLA (0.55) PTGER1DAGLASLC6A2SLC6A4SLC6A3
SCHEMBL4384028 0.75 NOTUM (0.42) NOTUML3MBTL1
SCHEMBL4383171 0.74 PTGER1 (0.48) PTGER1KLKB1HPGD
SCHEMBL4381351 0.73 CYP11B1 (0.35) PTGER1KLKB1
SCHEMBL4389605 0.72 HPGD (0.39) PTGER1LMNAHPGD
SCHEMBL4384794 0.72 PLA2G2A (0.41) PTGER1KLKB1HPGD
SCHEMBL4388883 0.72 MAOB (0.37)

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 PTGER1 3751/4885DAGLA 4612/4885SLC6A2 2571/4885

“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.