SCHEMBL4545236

SCHEMBL4545236

c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6c(-c6ccc(N(c7ccccc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5c5ccccc45)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
HPGD P15428 2/20 0.37
MPI P34949 1/20 0.37
APP P05067 2/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL1753730 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL9971761 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL25784939 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL4545233 0.91 GPR84 (0.38) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL25784966 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL14066871 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL9889162 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL9888990 0.89 HPRT1 (0.47) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL4545232 0.88 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL9971785 0.88 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTKDM4ETDP1

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-8178218-B2 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-15 US disclosed
US-8178218-B2 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-15 US disclosed
US-20090195149-A1 Material for organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2009-08-06 US disclosed
US-20090195149-A1 Material for organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2009-08-06 US disclosed
US-20070155991-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-07-05 US disclosed
US-20070155991-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-07-05 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 (2 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-20090195149-A1 Material for organic electroluminescent device using same EML4, INCENP, EZH2 ALDH1A1 1147/4885L3MBTL1 1071/4885MAPT 708/4885
US-20070155991-A1 Material for organic electroluminescent device and organic electroluminescent device using same CD99, EML4, L1CAM ALDH1A1 1095/4885L3MBTL1 958/4885MAPT 814/4885

“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.