SCHEMBL21933987

SCHEMBL21933987

c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c(-c6ccccc6)cccc45)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.45
DHODH Q02127 3/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2A P29274 1/20 0.40
NUDT1 P36639 1/20 0.40
TOP1 P11387 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE10A Q9Y233 1/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL21934789 1.00 ACACA (0.45) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934799 0.95 ACACA (0.43) ACACADHODHACHEKDM4EHPGD
SCHEMBL21935035 0.92 KDM4E (0.40) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934029 0.91 MEN1 (0.45) ACACADHODHACHEKDM4EHPGD
SCHEMBL21935637 0.91 MEN1 (0.45) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934755 0.90 MEN1 (0.47) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934100 0.90 MEN1 (0.47) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934623 0.90 MEN1 (0.47) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934099 0.90 MEN1 (0.47) ACACADHODHACHEKDM4EHPGD
SCHEMBL21934416 0.90 MEN1 (0.48) ACACADHODHACHEKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ACACA 2172/4885DHODH 247/4885ACHE 766/4885

“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.