SCHEMBL10045758

SCHEMBL10045758

COc1cccc(C=Cc2ccc(N(c3ccc(C=Cc4cccc(OC)c4)cc3)c3ccc(/C=C/c4cccc(OC)c4)cc3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.74
NFE2L2 Q16236 5/20 0.68
CYP19A1 P11511 1/20 0.68
CYP1A1 P04798 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP1B1 Q16678 2/20 0.64
NQO2 P16083 1/20 0.63
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57

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
SCHEMBL16312386 1.00 RELA (0.74) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL16168065 1.00 RELA (0.74) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL24193567 0.97 RELA (0.70) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL260888 0.95 RELA (0.68) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL5487613 0.95 RELA (0.68) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL5492461 0.95 RELA (0.68) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL7905688 0.94 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL4237317 0.94 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL7905686 0.94 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL4237316 0.94 RELA (0.66) RELANFE2L2CYP19A1CYP1A1CYP1A2

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-8859818-B2 Electrophotographic photoreceptor TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-14 US disclosed
US-20120022293-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-01-26 US disclosed
EP-2410380-A2 Electrophotographic photoreceptor Takasago International Corporation (JP) 2012-01-25 EP 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-20120022293-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR SLC1A2, SLC18A2, SLC1A1 RELA 3526/4885NFE2L2 822/4885CYP19A1 3973/4885

“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.