SCHEMBL4893894

SCHEMBL4893894

Cc1ccccc1N(c1ccc(N(c2ccc(N(c3ccccc3C)c3ccccc3C)cc2)c2ccccc2C)cc1)c1ccc(N(c2ccccc2C)c2ccccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 4/20 0.38
LMNA P02545 3/20 0.38
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
TP53 P04637 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
SCHEMBL8943789 0.97 ACHE (0.45) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL7486408 0.95 ACHE (0.43) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL15247033 0.93 ALDH1A1 (0.46) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL8943827 0.93 ALDH1A1 (0.44) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL13480247 0.91 TSHR (0.42) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL3513273 0.91 TSHR (0.39) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL13929896 0.91 ACHE (0.39) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL7154196 0.91 ACHE (0.39) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL3477596 0.91 ALDH1A1 (0.48) ACHETSHRCYP3A4LMNASIGMAR1
SCHEMBL9724236 0.91 TSHR (0.42) ACHETSHRCYP3A4LMNASIGMAR1

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 ACHE 420/4885TSHR 2984/4885CYP3A4 1046/4885

“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.