SCHEMBL13367394

SCHEMBL13367394

COc1ccc(N(C)c2cc3ccc4cccc5ccc(c2)c3c45)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
DHFR P00374 1/20 0.44
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
EGFR P00533 4/20 0.41
PDGFRB P09619 4/20 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
SCHEMBL15731018 0.85 CYP1A2 (0.46) CYP1A2CYP2A6KDM4EMEN1ALDH1A1
SCHEMBL12048751 0.84 CYP1A2 (0.59) CYP1A2CYP2A6DHFREGFRPDGFRB
SCHEMBL13367377 0.84 ALDH1A1 (0.52) CYP1A2KDM4EMEN1ALDH1A1GAA
SCHEMBL16920397 0.82 CYP1A2 (0.42) CYP1A2CYP2A6KDM4EMEN1ALDH1A1
SCHEMBL12700471 0.80 CYP1A2 (0.44) CYP1A2DHFRKDM4EMEN1ALDH1A1
SCHEMBL12047972 0.80 CYP1A2 (0.53) CYP1A2CYP2A6DHFRTUBB4ATUBB
SCHEMBL13338779 0.80 EGFR (0.42) CYP1A2CYP2A6EGFRPDGFRBKDR
SCHEMBL114319 0.78 CA1 (0.61) DHFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12047823 0.78 CYP1A2 (0.50) CYP1A2CYP2A6DHFRTUBB4ATUBB
SCHEMBL13367666 0.77 CYP1A2 (0.53) CYP1A2CYP2A6EGFRPDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 US 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 CYP1A2 1021/4885CYP2A6 2286/4885DHFR 2406/4885

“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.