SCHEMBL4887864

SCHEMBL4887864

c1ccc(N(c2ccc(N(c3ccc(N(c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c4cccc5ccccc45)cc3)c3cccc4ccccc34)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.42
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HPRT1 P00492 2/20 0.33
MCL1 Q07820 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
SCHEMBL24702723 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL30343585 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL13766335 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL10016191 1.00 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL17468436 0.98 SIGMAR1 (0.43) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL12730981 0.95 SIGMAR1 (0.39) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL196148 0.95 SIGMAR1 (0.39) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL20622956 0.95 SIGMAR1 (0.39) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL20707468 0.95 SIGMAR1 (0.39) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1
SCHEMBL18069076 0.95 SIGMAR1 (0.39) SIGMAR1ALDH1A1CYP1A2CYP2D6TDP1

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 197/4885ALDH1A1 463/4885CYP1A2 464/4885

“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.