SCHEMBL18200643

SCHEMBL18200643

c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
NUDT1 P36639 3/20 0.44
ADORA2A P29274 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18200601 0.92 NUDT1 (0.47) LMNANUDT1ADORA2AMEN1KMT2A
SCHEMBL18200600 0.92 NUDT1 (0.47) LMNANUDT1ADORA2AMEN1KMT2A
SCHEMBL17034863 0.92 NUDT1 (0.50) LMNANUDT1ADORA2AMEN1KMT2A
SCHEMBL18200486 0.91 ESR1 (0.44) LMNAESR1ESR2NUDT1ADORA2A
SCHEMBL17034889 0.90 MEN1 (0.38) LMNAESR1ESR2NUDT1ADORA2A
SCHEMBL18200972 0.90 ESR1 (0.45) LMNAESR1ESR2NUDT1ADORA2A
SCHEMBL18346947 0.88 LMNA (0.38) LMNAESR1ESR2NUDT1ADORA2A
SCHEMBL18200391 0.88 MEN1 (0.51) LMNAESR1ESR2NUDT1ADORA2A
SCHEMBL17034886 0.88 MEN1 (0.56) LMNANUDT1ADORA2AMEN1KMT2A
SCHEMBL21757194 0.87 LMNA (0.36) LMNAESR1ESR2NUDT1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 LMNA 3373/4885ESR1 207/4885ESR2 1442/4885

“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.