SCHEMBL4894433

SCHEMBL4894433

c1ccc2c(N(c3ccc(N(c4cccc5ccccc45)c4c5ccccc5c(N(c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)c5cccc6ccccc56)c5ccccc45)cc3)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.44
ALDH1A1 P00352 5/20 0.37
CYP2A6 P11509 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
KEAP1 Q14145 1/20 0.35
HPRT1 P00492 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHFR P00374 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
SCHEMBL4921270 0.92 SIGMAR1 (0.45) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4650694 0.92 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5423604 0.92 SIGMAR1 (0.50) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL13250570 0.90 SIGMAR1 (0.46) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4894348 0.90 ALDH1A1 (0.46) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4888596 0.90 SIGMAR1 (0.48) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL14867161 0.89 SIGMAR1 (0.40) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4894336 0.88 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP2A6L3MBTL1CYP1A2
SCHEMBL4893963 0.88 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL30205806 0.87 SIGMAR1 (0.44) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10

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 463/4885CYP2A6 388/4885

“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.