SCHEMBL6318850

SCHEMBL6318850

CCOC(=O)/C=C/C=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 1/20 0.52
PRKDC P78527 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.45
FDPS P14324 1/20 0.45
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NTSR1 P30989 1/20 0.42
NPC1 O15118 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6318854 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL8908142 0.91 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL8908144 0.91 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL16373807 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL3173753 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL3173742 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL5512233 0.81 RAB9A (0.53) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL5512237 0.81 RAB9A (0.53) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL1399074 0.80 STAT3 (0.62) ALDH1A1MAPTRAB9AMAOBMEN1
SCHEMBL10318091 0.80 ALDH1A1 (0.72) ALDH1A1KDM4ETDP1MAPTCYP3A4

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 ALDH1A1 433/4885KDM4E 2142/4885TDP1 612/4885

“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.