SCHEMBL17915768

SCHEMBL17915768

c1ccc(N2c3ccccc3N(c3ccc4c5ccccc5c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5c4c3)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
MGLL Q99685 3/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL17915739 1.00 MAPK1 (0.38) MAPK1ALDH1A1GAACES2BCHE
SCHEMBL17915800 0.94 CYP1A2 (0.36) MAPK1ATMKDM4EL3MBTL1CYP1A2
SCHEMBL17915806 0.89 FAAH (0.41) ALDH1A1MGLLATMFAAHHTT
SCHEMBL17915804 0.87 FAAH (0.42) ALDH1A1MGLLATMFAAHHTT
SCHEMBL19938565 0.86 ALDH1A1 (0.32) MAPK1ALDH1A1GAACES2BCHE
SCHEMBL19938240 0.86 ALDH1A1 (0.32) MAPK1ALDH1A1GAACES2BCHE
SCHEMBL19343023 0.85 CYP1A2 (0.34) MAPK1CYP1A2CYP2C9CYP2C19HSP90AA1
SCHEMBL17915798 0.85 FAAH (0.40) ALDH1A1MGLLATMFAAHHTT
SCHEMBL17915792 0.84 KDM4E (0.49) MAPK1ALDH1A1ATMKDM4EL3MBTL1
SCHEMBL14550884 0.83 ALDH1A1 (0.46) MAPK1ALDH1A1GAACES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160204352-A1 COMPOUND HAVING TRIPHENYLENE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-07-14 US disclosed
US-20160204352-A1 COMPOUND HAVING TRIPHENYLENE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-07-14 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-20160204352-A1 COMPOUND HAVING TRIPHENYLENE RING STRUCTURE, AND ORGANIC ELECTROLUMINESCENT DEVICE POU2F1, POU5F1, LEF1 MAPK1 1400/4885ALDH1A1 92/4885GAA 2695/4885

“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.