SCHEMBL762889

SCHEMBL762889

c1ccc(-c2ccc(N(c3ccccc3)c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4ccccc4c4ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MGLL Q99685 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP3 P08254 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL7601650 0.98 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL804831 0.93 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL14867170 0.91 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL5372146 0.91 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL10128674 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22671681 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22671446 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22669632 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22670619 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4TDP1
SCHEMBL22669997 0.88 ALDH1A1 (0.36) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8127559-A None JP disclosed
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
US-8221906-B2 Electroluminescent polymers for electronic applications BASF SE (DE) 2012-07-17 US disclosed
US-8138303-B2 Polymers BASF SE (DE) 2012-03-20 US disclosed
US-7968872-B2 Polymers BASF SE (DE) 2011-06-28 US disclosed
US-20100249349-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2010-09-30 US disclosed
US-20090309068-A1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LIMITED (IE) 2009-12-17 US disclosed
US-20090203866-A1 Novel Polymers BASF SE (DE) 2009-08-13 US disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
EP-0757035-B1 Phenanthrylenediamine derivative and electrophotosensitive material using the same KYOCERA MITA CORP (JP) 2002-12-04 EP disclosed
US-5843606-A Phenanthrylenediamine derivative MITA INDUSTRIAL CO., LTD. (JP) 1998-12-01 US disclosed
EP-0757035-A1 Phenanthrylenediamine derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO., LTD. (JP) 1997-02-05 EP disclosed
JP-H08127559-A PHENANTHRYLENEDIAMINE DERIVATIVE AND ELECTROPHOTOGRAPHY SENSITIVE BODY USING THE SAME MITA IND CO LTD 1996-05-21 JP 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 (3 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-20090105447-A1 Novel Polymers PLEC, VIM, PUF60 ALDH1A1 245/4885L3MBTL1 3976/4885CYP1A2 2989/4885
US-20090203866-A1 Novel Polymers PLEC, PUF60, VIM ALDH1A1 256/4885L3MBTL1 3745/4885CYP1A2 3322/4885
US-20100249349-A1 Novel Polymers OCIAD2, OCIAD1, SLCO4C1 ALDH1A1 478/4885L3MBTL1 4018/4885CYP1A2 1169/4885

“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.