SCHEMBL17828857

SCHEMBL17828857

c1cc(-c2nc(-c3cccc4ccccc34)c3ccc4ccccc4c3n2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33

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
SCHEMBL17828900 0.94 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EATML3MBTL1
SCHEMBL17828837 0.94 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EATML3MBTL1
SCHEMBL18264757 0.94 KDM4E (0.36) ALDH1A1MAPTKDM4EATML3MBTL1
SCHEMBL17829045 0.92 L3MBTL1 (0.36) MAPTKDM4EATML3MBTL1CYP1A1
SCHEMBL17828815 0.92 KDM4E (0.35) ALDH1A1MAPTKDM4EATML3MBTL1
SCHEMBL17829002 0.91 KDM4E (0.33) ALDH1A1MAPTKDM4EATML3MBTL1
SCHEMBL17828867 0.91 L3MBTL1 (0.38) MAPTKDM4EATML3MBTL1CYP1A1
SCHEMBL17828882 0.90 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EATML3MBTL1
SCHEMBL17828869 0.89 ATM (0.36) MAPTKDM4EATML3MBTL1CYP1A1
SCHEMBL17828995 0.89 ATM (0.38) ALDH1A1MAPTKDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 ALDH1A1 248/4885MAPT 2279/4885KDM4E 2236/4885

“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.