SCHEMBL5373892

SCHEMBL5373892

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MGLL Q99685 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ MEN1 O00255 2/20 0.40

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 0.97 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL11891635 0.97 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL10065965 0.97 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL10065405 0.97 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL21129113 0.97 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL17102932 0.95 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL11891632 0.95 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL13608535 0.93 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL14016097 0.93 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL10029836 0.92 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056371-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT BANDO CHEMICAL IND (JP) 2012-09-26 — — EP disclosed
US-8043725-B2 Organic electroluminescence element BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-25 — — US disclosed
US-8043725-B2 Organic electroluminescence element BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-25 — — US disclosed
US-20100006828-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT BANDO CHEMICAL INDUSTRIAL, LTD. (JP) 2010-01-14 — — US disclosed
US-20100006828-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT BANDO CHEMICAL INDUSTRIAL, LTD. (JP) 2010-01-14 — — US disclosed
EP-2056371-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Bando Chemical Industries, Ltd. (JP) 2009-05-06 — — EP disclosed
US-20070249866-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 — — US disclosed
US-20070249861-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 — — US disclosed
US-7250532-B2 Method for producing aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2007-07-31 — — US disclosed
US-20060030736-A1 Method for producing aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2006-02-09 — — US disclosed
US-20040082813-A1 Method for producting aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2004-04-29 — — 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 (4 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-20070249861-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND SLC7A1, SLC43A1, AHR ALDH1A1 455/4885CYP1A2 91/4885CYP3A4 246/4885
US-20060030736-A1 Method for producing aromatic amino compound SLC7A1, SLC43A1, AHR ALDH1A1 447/4885CYP1A2 81/4885CYP3A4 214/4885
US-20040082813-A1 Method for producting aromatic amino compound ADRM1, SLC7A1, AHR ALDH1A1 594/4885CYP1A2 145/4885CYP3A4 269/4885
US-20070249866-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND SLC7A1, SLC43A1, AHR ALDH1A1 455/4885CYP1A2 91/4885CYP3A4 246/4885

“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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