Sugi Predict

Sugi Predict / Compounds / SCHEMBL10160430

SCHEMBL10160430

SCHEMBL10160430

C#Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ PYCR1 P32322 1/20 0.36
▸ APP P05067 1/20 0.36

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
SCHEMBL15242576 0.98 ALDH1A1 (0.45) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL12331537 0.98 ALDH1A1 (0.45) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL10160387 0.98 CYP1A2 (0.42) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL2433973 0.92 ALDH1A1 (0.50) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL20969982 0.92 ALDH1A1 (0.50) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL22870228 0.92 ALDH1A1 (0.50) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL6279069 0.89 ALDH1A1 (0.38) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL19624742 0.89 CYP1A2 (0.36) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL17934779 0.85 ALDH1A1 (0.38) ALDH1A1CYP1A2L3MBTL1CYP3A4CYP2C9
SCHEMBL77549 0.85 CYP1A2 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9TDP1

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 ALDH1A1 955/4885CYP1A2 1296/4885L3MBTL1 1832/4885

“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.