SCHEMBL4885137

SCHEMBL4885137

Cc1ccccc1N(c1ccc(N(c2ccccc2C)c2ccc(N(c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)c3ccccc3C)c3ccccc23)cc1)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 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
SCHEMBL4891192 0.91 CYP2A6 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8943789 0.89 ACHE (0.45) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL4893894 0.87 ACHE (0.43) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL7486408 0.87 ACHE (0.43) CYP1A2ALDH1A1TSHRACHECYP3A4
SCHEMBL4895723 0.85 CYP2A6 (0.50) CYP1A2CYP2A6ALDH1A1TSHRLMNA
SCHEMBL13929896 0.83 ACHE (0.39) CYP1A2ALDH1A1TSHRACHECYP3A4
SCHEMBL13480247 0.83 TSHR (0.42) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL7154196 0.83 ACHE (0.39) CYP1A2ALDH1A1TSHRACHECYP3A4
SCHEMBL8470149 0.82 TSHR (0.43) CYP1A2ALDH1A1TSHRACHECYP3A4
SCHEMBL15468229 0.82 CYP1A2 (0.34) CYP1A2CYP2A6ALDH1A1TSHRMAPT

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 CHEK1 3740/4885NEK2 2238/4885LIMK1 1079/4885

“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.