SCHEMBL19397648

SCHEMBL19397648

c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 4/20 0.42
NTSR1 P30989 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL13100570 0.96 CYP1A1 (0.51) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL14416334 0.96 CYP1A1 (0.51) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL17899180 0.96 CYP1A1 (0.48) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL13100558 0.96 CYP1A1 (0.51) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL17899167 0.96 CYP1A1 (0.48) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL14416302 0.96 KDM4E (0.46) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL13100571 0.96 CYP1A1 (0.47) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL12211014 0.95 CYP1A1 (0.52) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL17899164 0.95 CYP1A1 (0.52) CYP1A1CYP1B1KDM4EL3MBTL1ATM
SCHEMBL14425777 0.94 CYP1A1 (0.46) CYP1A1CYP1B1KDM4EL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580995-B2 Compounds for organic electroluminescent components and organic electroluminescent devices using the same E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2020-03-03 US disclosed
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-09-28 US disclosed
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-09-28 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-10580995-B2 Compounds for organic electroluminescent components and organic electroluminescent devices using the same C1S, AOC2, L1CAM CYP1A1 83/4885CYP1B1 307/4885KDM4E 2356/4885
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME L1CAM, C1S, F10 CYP1A1 241/4885CYP1B1 659/4885KDM4E 2750/4885

“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.