SCHEMBL5550259

SCHEMBL5550259

CCOC(=O)CCCCOc1ccc(OC)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
PTPN1 P18031 4/20 0.48
LTA4H P09960 3/20 0.46
ERN1 O75460 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
BRD4 O60885 1/20 0.43
PDK2 Q15119 1/20 0.43

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
SCHEMBL5545270 0.96 KDM4E (0.54) KDM4ERAB9APTPN1LTA4HERN1
SCHEMBL5883497 0.91 LTA4H (0.46) KDM4ERAB9APTPN1LTA4HL3MBTL1
SCHEMBL6320060 0.90 PTPN1 (0.53) PTPN1LTA4HTUBB1ALDH1A1CYP1A2
SCHEMBL21601607 0.88 PTPN1 (0.53) KDM4ERAB9APTPN1LTA4HLMNA
SCHEMBL3643556 0.86 KDM4E (0.62) KDM4ERAB9APTPN1ERN1LMNA
SCHEMBL3459019 0.84 PTGDR2 (0.56) KDM4ERAB9APTPN1LTA4HLMNA
SCHEMBL21601619 0.84 ALDH1A1 (0.54) KDM4ERAB9APTPN1ERN1LMNA
SCHEMBL7165687 0.83 PPARA (0.55) KDM4ERAB9AERN1TUBB1JUN
SCHEMBL17558140 0.82 DGKA (0.49)
SCHEMBL16146944 0.82 PTGDR2 (0.54) KDM4ERAB9APTPN1LTA4HLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US 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 (2 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 KDM4E 2097/4885RAB9A 4406/4885PTPN1 2983/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 KDM4E 1121/4885RAB9A 4527/4885PTPN1 3347/4885

“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.