SCHEMBL7604736

SCHEMBL7604736

COc1ccc(OC)c(/C=C/c2ccnc(-c3cc(/C=C/c4cc(OC)ccc4OC)ccn3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.66
CYP1B1 Q16678 10/20 0.66
NFE2L2 Q16236 4/20 0.58
CYP19A1 P11511 1/20 0.58
CYP1A2 P05177 9/20 0.58
TLR9 Q9NR96 1/20 0.52
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP4B1 P13584 1/20 0.48
CYP2B6 P20813 1/20 0.48

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
SCHEMBL2997152 0.90 CYP1A1 (0.57) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL2997151 0.90 CYP1A1 (0.57) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL22009552 0.83 CYP1A1 (0.77) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL29905754 0.82 CYP1A1 (0.62) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL29905756 0.81 CYP1A2 (0.65) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL5501588 0.79 NFE2L2 (0.81) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL5501583 0.79 NFE2L2 (0.81) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL20995859 0.78 CYP1A1 (0.77) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL20995855 0.78 CYP1A1 (0.77) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2
SCHEMBL29905764 0.78 RELA (0.62) CYP1A1CYP1B1NFE2L2CYP19A1CYP1A2

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
EP-2036955-B1 DYESTUFF, DYE-SENSITIZED SOLAR CELL, AND METHOD FOR MANUFACTURING SAME JSR CORP (JP) 2012-05-16 EP disclosed
US-20110215276-A1 Phosphorescent light-emitting material SOLVAY SA (BE) 2011-09-08 US disclosed
US-20110215276-A1 Phosphorescent light-emitting material SOLVAY SA (BE) 2011-09-08 US disclosed
WO-2010055040-A1 PHOSPHORESCENT LIGHT-EMITTING MATERIAL SOLVAY SA (BE) 2010-05-20 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-20110215276-A1 Phosphorescent light-emitting material MAP1LC3C, BRPF1, NR2E3 CYP1A1 3630/4885CYP1B1 3549/4885NFE2L2 247/4885

“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.