SCHEMBL4891820

SCHEMBL4891820

c1ccc(N(c2ccc(N(c3cccc4ccccc34)c3ccc(N(c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c4cccc5ccccc45)c4ccccc34)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2A6 P11509 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 1/20 0.36
HPGD P15428 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
SCHEMBL13250571 0.98 SIGMAR1 (0.47) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL13250555 0.96 SIGMAR1 (0.49) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL2362015 0.94 SIGMAR1 (0.50) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL4893963 0.94 SIGMAR1 (0.47) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL29527814 0.94 SIGMAR1 (0.50) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL76828 0.94 SIGMAR1 (0.50) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL4580501 0.94 SIGMAR1 (0.50) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL4893902 0.94 SIGMAR1 (0.50) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL7482905 0.93 SIGMAR1 (0.44) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL4581137 0.92 SIGMAR1 (0.49) SIGMAR1L3MBTL1ALDH1A1CYP1A2CYP3A4

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-20080058552-A1 Novel Aromatic Tertiary Amines and Use Thereof as Organic Electronic Functional Material BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-06 US disclosed
EP-1829855-A1 NOVEL AROMATIC TERTIARY AMINES AND UTILIZATION THEREOF AS ORGANIC ELECTRONIC FUNCTIONAL MATERIAL BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-05 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-20080058552-A1 Novel Aromatic Tertiary Amines and Use Thereof as Organic Electronic Functional Material SLC18A1, PAH, TYR SIGMAR1 197/4885L3MBTL1 3268/4885ALDH1A1 463/4885

“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.