SCHEMBL6406595

SCHEMBL6406595

CCOC(=O)N(Br)c1ccc(CCCCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 6/20 0.47
CYP4F2 P78329 5/20 0.47
CYP4Z1 Q86W10 2/20 0.40
CA2 P00918 2/20 0.39
CYP4F11 Q9HBI6 1/20 0.38
CYP4F12 Q9HCS2 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALOX5 P09917 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL6404151 0.96 CYP4A11 (0.46) CYP4A11CYP4F2CYP4Z1CA2CYP4F11
SCHEMBL6554455 0.89 THRA (0.43) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL6405545 0.87 CYP4Z1 (0.41) CYP4A11CYP4F2CYP4Z1CYP4F11CYP4F12
SCHEMBL9869627 0.75 ALDH1A1 (0.50) ALDH1A1CTDSP1
SCHEMBL4130116 0.74 CYP4A11 (0.71) CYP4A11CYP4F2CA2ALDH1A1
SCHEMBL6554503 0.73 CYP4A11 (0.45) CYP4A11CYP4F2CA2PPARAALDH1A1
SCHEMBL8866817 0.73 CYP4F2 (0.57) CYP4A11CYP4F2CA2PPARAALDH1A1
SCHEMBL31502353 0.73 CYP4A11 (0.57) CYP4A11CYP4F2CYP4Z1CA2CYP4F11
SCHEMBL5755875 0.71 HPGD (0.44) CA2ALDH1A1THRATHRB
SCHEMBL6405063 0.71 CYP4F2 (0.53) CYP4A11CYP4F2ALDH1A1SPHK1

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-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 CYP4A11 2762/4885CYP4F2 3749/4885CYP4Z1 3714/4885

“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.