SCHEMBL13338772

SCHEMBL13338772

Cc1cccc(N(c2cccc(-c3cccc4ccccc34)c2)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL13338597 0.93 CHRNA1 (0.38) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13338419 0.93 CA12 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13338765 0.90 PPARG (0.41) SIGMAR1SLC6A2CHRNB4SLC6A4CHRNA3
SCHEMBL13338532 0.90 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13338428 0.90 PPARG (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13338705 0.86 CA12 (0.44) CA12CA1CA2CA9PPARG
SCHEMBL13338460 0.86 PPARG (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13338495 0.84 CA12 (0.39) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13338763 0.83 SIGMAR1 (0.40) SIGMAR1SLC6A2SLC6A4CA12CA1
SCHEMBL13338850 0.82 PPARG (0.41) PPARGPPARARAB9A

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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 US disclosed
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 SIGMAR1 699/4885CHRNA1 943/4885CHRNG 2507/4885

“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.