SCHEMBL10160418

SCHEMBL10160418

C#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CYP2A6 P11509 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
ACP3 P15309 1/20 0.30

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
SCHEMBL17934758 0.95 SIGMAR1 (0.41) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17690821 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6481487 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3463498 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL76513 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15807471 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23047 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6123830 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL75887 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13854486 0.87 SIGMAR1 (0.46) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9

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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 US disclosed
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 US 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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER EPB41, EPB41L2, AR SIGMAR1 1573/4885CYP1A2 1296/4885CYP3A4 819/4885

“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.