SCHEMBL4386554

SCHEMBL4386554

CCc1c(O)cc(O)c(-c2cccc(O)c2)c1Cc1nn(CCOC)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NLRP3 Q96P20 2/20 0.32
TRPA1 O75762 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MTNR1B P49286 2/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL4394356 0.92 NLRP3 (0.36) ESR1ESR2TP53NLRP3TRPA1
SCHEMBL4380441 0.83 MTNR1B (0.37) ESR1MTNR1B
SCHEMBL4386873 0.81 POLB (0.37) ESR1ESR2NLRP3TRPA1ALDH1A1
SCHEMBL4380795 0.75 FAAH (0.38) TRPA1MAOBALDH1A1GAAMTNR1B
SCHEMBL4379468 0.74 ESR1 (0.44) ESR1ESR2
SCHEMBL4388525 0.70 ESR1 (0.41) ESR1ESR2
SCHEMBL4388215 0.68 FAAH (0.38) NLRP3TRPA1MAOBALDH1A1GAA
SCHEMBL4382880 0.65 ESR1 (0.47) ESR1ESR2
SCHEMBL4379288 0.65 NOTUM (0.41) ESR1ESR2MTNR1B
SCHEMBL4379754 0.65 ESR1 (0.40) ESR1ESR2

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 ESR1 610/4885ESR2 1033/4885TP53 918/4885

“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.