SCHEMBL20160859

SCHEMBL20160859

CC(C)c1cc(-c2ccccc2)c2cccc(-c3cccc(-c4nc(C(C)C)nc5ccccc45)c3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
PDE7A Q13946 5/20 0.37
PDE7B Q9NP56 5/20 0.37
ADORA2A P29274 3/20 0.36
KDM1A O60341 1/20 0.35
CRHR1 P34998 1/20 0.35
SCN9A Q15858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NUDT1 P36639 2/20 0.34
USP2 O75604 1/20 0.34
PRNP P04156 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AURKA O14965 1/20 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
SCHEMBL21662089 0.80 PDE7A (0.47) PDE7APDE7BADORA2ANUDT1USP2
SCHEMBL20160861 0.78 HSP90AA1 (0.39) HSP90AA1PDE7APDE7BADORA2ASCN9A
SCHEMBL21662093 0.76 ADORA2A (0.46) PDE7APDE7BADORA2ASCN9ANUDT1
SCHEMBL20152506 0.75 ADORA2A (0.55) ADORA2ANUDT1NPSR1
SCHEMBL24162469 0.75 HSP90AA1 (0.38) HSP90AA1PDE7APDE7BNPSR1ACACA
SCHEMBL31357488 0.74 METAP2 (0.42) HSP90AA1ADORA2ATSHRNPSR1ACACA
SCHEMBL1102413 0.74 ACACA (0.50) USP2NPSR1RXFP1ACACA
SCHEMBL20286671 0.73 MAOA (0.42) HSP90AA1ADORA2ANPSR1ACACA
SCHEMBL19169482 0.73 ADORA2A (0.43) PDE7APDE7BADORA2ASCN9ANUDT1
SCHEMBL20152504 0.73 ADORA2A (0.51) PDE7APDE7BADORA2ASCN9ANUDT1

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-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 HSP90AA1 4867/4885PDE7A 4885/4885PDE7B 4786/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 HSP90AA1 4867/4885PDE7A 4885/4885PDE7B 4786/4885

“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.