SCHEMBL13320929

SCHEMBL13320929

c1ccc(N(c2ccccc2)c2cc3ccc4cccc5c(N(c6ccccc6)c6ccccc6)cc(c2)c3c45)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 4/20 0.34
TSHR P16473 2/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
SIGMAR1 Q99720 4/20 0.34
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL24106738 0.94 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320930 0.92 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14069631 0.92 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13089925 0.88 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10135829 0.88 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13657889 0.88 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320921 0.87 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13320932 0.87 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL10135940 0.86 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL15726499 0.86 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE

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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 CYP1A2 21/4885ERBB2 1233/4885FYN 1500/4885

“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.