SCHEMBL16623895

SCHEMBL16623895

c1ccc(-c2ccccc2Nc2cccc3c2c2cccc(Nc4ccccc4-c4ccccc4)c2c2cccc(Nc4ccccc4-c4ccccc4)c32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.53
FABP4 P15090 1/20 0.53
FABP5 Q01469 1/20 0.53
CDC25B P30305 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MYC P01106 2/20 0.40
MAX P61244 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL16623900 0.88 FABP3 (0.56) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL29574036 0.85 FABP3 (0.67) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL2437912 0.85 FABP3 (0.67) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL19874579 0.83 FABP3 (0.45) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL15605284 0.83 FABP3 (0.64) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL2793972 0.82 CDC25B (0.60) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL30353953 0.82 CDC25B (0.60) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL26157545 0.82 FABP3 (0.55) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL18655632 0.81 CDC25B (0.51) FABP3FABP4FABP5CDC25BMEN1
SCHEMBL5370631 0.81 FABP3 (0.62) FABP3FABP4FABP5CDC25BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-9741950-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2017-08-22 US disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 FABP3 4613/4885FABP4 3245/4885FABP5 4344/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 FABP3 4760/4885FABP4 3757/4885FABP5 4477/4885

“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.