SCHEMBL13320935

SCHEMBL13320935

c1ccc(N(c2cccc3ccccc23)c2cc3cccc4c(N(c5ccccc5)c5cccc6ccccc56)cc5cccc2c5c34)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.46
CYP1A2 P05177 3/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CDC25B P30305 1/20 0.34
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1249647 0.91 SIGMAR1 (0.47) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL2701507 0.91 SIGMAR1 (0.47) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL13089925 0.89 CYP1A2 (0.42) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL13320980 0.89 SIGMAR1 (0.43) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL13320941 0.89 CYP1A2 (0.42) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL13408754 0.88 SIGMAR1 (0.42) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL30799092 0.87 SIGMAR1 (0.51) SIGMAR1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL292397 0.87 SIGMAR1 (0.51) SIGMAR1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL14123629 0.87 CYP1A2 (0.41) SIGMAR1CYP1A2ERBB2FYNMAOA
SCHEMBL556717 0.86 SIGMAR1 (0.46) SIGMAR1CYP1A2ERBB2FYNMAOA

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 SIGMAR1 2742/4885CYP1A2 21/4885ERBB2 1233/4885

“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.