SCHEMBL17760113

SCHEMBL17760113

c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5sc6ccccc6c5ccc43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSPO P30536 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL19653698 1.00 ALOX5 (0.33) ALOX5KDM4EATML3MBTL1TSPO
SCHEMBL19653608 0.95 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1TSPO
SCHEMBL23862277 0.95 ALOX5 (0.34) ALOX5KDM4EATML3MBTL1TSPO
SCHEMBL17760005 0.95 KDM4E (0.37) ALOX5KDM4EATML3MBTL1CYP1A1
SCHEMBL23862215 0.95 KDM4E (0.37) ALOX5KDM4EATML3MBTL1CYP1A1
SCHEMBL19653282 0.92 ALOX5 (0.38) ALOX5CYP1A1CYP1B1TNKSTNKS2
SCHEMBL19652950 0.92 ATM (0.38) ALOX5KDM4EATML3MBTL1TSPO
SCHEMBL16482247 0.91 LIMK1 (0.32) KDM4EATML3MBTL1TSPOCYP1A1
SCHEMBL19653486 0.91 L3MBTL1 (0.40) ALOX5KDM4EATML3MBTL1TSPO
SCHEMBL19653145 0.90 ALOX5 (0.33) ALOX5PRKDC

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-11130747-B2 Plurality of host materials and an organic electroluminescence device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2021-09-28 US disclosed
WO-2016076629-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-19 WO 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-11130747-B2 Plurality of host materials and an organic electroluminescence device comprising the same SOD1, TERT, TELO2 ALOX5 1457/4885KDM4E 2736/4885ATM 3138/4885

“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.