SCHEMBL11891635

SCHEMBL11891635

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)c5cc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6)cc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6)c5)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ MGLL Q99685 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ APP P05067 1/20 0.41

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
SCHEMBL16158449 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL10065965 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL21129113 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL10065405 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL11891632 0.97 ALDH1A1 (0.54) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL5373892 0.97 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL13608535 0.95 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL14016097 0.95 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL21977063 0.93 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL14016090 0.93 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227096-B2 Arylamine compound and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-07-24 — — US disclosed
US-8227096-B2 Arylamine compound and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20110133171-A1 ARYLAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-06-09 — — US disclosed
US-20110133171-A1 ARYLAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-06-09 — — US disclosed
US-7867632-B2 Arylamine compound and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD (JP) 2011-01-11 — — US disclosed
US-7867632-B2 Arylamine compound and organic electroluminescence device HODOGAYA CHEMICAL CO., LTD (JP) 2011-01-11 — — 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-20110133171-A1 ARYLAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE NAT1, TRDMT1, BMI1 ALDH1A1 78/4885L3MBTL1 743/4885CYP1A2 473/4885

“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.

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