SCHEMBL1805296

SCHEMBL1805296

COc1ccc(Oc2ncc(C(N)CN)c(Oc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 14/20 0.40
CYP3A4 P08684 14/20 0.40
CYP2C19 P33261 5/20 0.40
CLK4 Q9HAZ1 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 9/20 0.39
CYP2C9 P11712 5/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 6/20 0.37
HPGD P15428 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1803012 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12620394 0.73 FERMT2 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12620389 0.71 MAPK8 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL12620442 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1806470 0.68 MERTK (0.60) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3977514 0.67 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL11658602 0.66 ADRA1A (0.56) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4197005 0.66 CYP1A2 (0.66) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPK1
SCHEMBL13530264 0.66 DCK (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8864442 0.65 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 ALDH1A1 590/4885MEN1 4868/4885KMT2A 1602/4885

“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.