SCHEMBL19685800

SCHEMBL19685800

Cc1cc(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CYP1B1 Q16678 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOB P27338 4/20 0.38
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNA3 P22001 1/20 0.36
TNKS O95271 3/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
POLB P06746 2/20 0.34
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP19A1 P11511 2/20 0.34

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
SCHEMBL19685693 0.91 ACHE (0.49) ACHECYP1B1CYP1A1CYP1A2MAOB
SCHEMBL19685803 0.86 CYP1B1 (0.43) ACHECYP1B1CYP1A1CYP1A2MAOB
SCHEMBL19685695 0.83 ACHE (0.38) ACHECYP1B1CYP1A1CYP1A2MAOB
SCHEMBL18266016 0.81 KDM4E (0.47) KDM4EATML3MBTL1POLBALDH1A1
SCHEMBL17752235 0.80 MAOA (0.51) KDM4EL3MBTL1POLBALDH1A1NPC1
SCHEMBL30646338 0.80 MAOA (0.51) KDM4EL3MBTL1POLBALDH1A1NPC1
SCHEMBL29531498 0.80 MAOA (0.51) KDM4EL3MBTL1POLBALDH1A1NPC1
SCHEMBL22146535 0.80 MAOA (0.51) KDM4EL3MBTL1POLBALDH1A1NPC1
SCHEMBL10449463 0.79 AHR (0.46) KDM4EATML3MBTL1ALDH1A1NPC1
SCHEMBL17248342 0.79 AHR (0.46) KDM4EATML3MBTL1ALDH1A1NPC1

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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-14 US disclosed
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same CYC1, CCNA1, CYCS ACHE 3408/4885CYP1B1 112/4885CYP1A1 102/4885
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS ACHE 3408/4885CYP1B1 112/4885CYP1A1 102/4885

“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.