SCHEMBL6313256

SCHEMBL6313256

CCOC(=O)CCCCc1cc(OC)c(OC)cc1N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
TNF P01375 10/20 0.51
CYP1A2 P05177 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL6313004 0.82 F13A1 (0.49)
Hydrochloric Acid SCHEMBL6987068 0.77 TNF (0.48) CYP4F2CYP4A11TNF
SCHEMBL1207466 0.77 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2
SCHEMBL15757946 0.77 MTNR1A (0.56) CYP4F2CYP4A11
SCHEMBL8962974 0.76 TOP1 (0.47) CYP4F2CYP4A11TNF
SCHEMBL8962981 0.76 CYP4F2 (0.44) CYP4F2CYP4A11TNF
SCHEMBL490753 0.76 CYP4F2 (0.51) CYP4F2CYP4A11TNFDPP4
SCHEMBL17722574 0.76 CYP4F2 (0.54) CYP4F2CYP4A11TNFDPP4
SCHEMBL27567553 0.75 CYP4F2 (0.71) CYP4F2CYP4A11CYP1A2
SCHEMBL2138518 0.75 TNF (0.43) CYP4F2CYP4A11TNFCYP1A2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT CYP4F2 259/4885CYP4A11 417/4885TNF 3038/4885

“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.