SCHEMBL21019368

SCHEMBL21019368

c1ccc(-c2cc(-c3ccc(-c4cc5oc6ccc7oc8ccccc8c7c6c5c5ccccc45)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 8/20 0.45
▸ MEN1 O00255 7/20 0.45
▸ MAPT P10636 7/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ ACACA Q13085 3/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL21019357 1.00 KMT2A (0.45) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019347 0.93 KMT2A (0.43) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019354 0.93 MAPT (0.40) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019346 0.90 KMT2A (0.41) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019850 0.90 MAPT (0.41) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019848 0.90 MAPT (0.41) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL23602702 0.89 KMT2A (0.45) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019692 0.89 ACACA (0.41) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019369 0.89 ACACA (0.41) KMT2AALDH1A1HPGDMEN1MAPT
SCHEMBL21019887 0.89 MAPT (0.45) KMT2AALDH1A1HPGDMEN1MAPT

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-10995098-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2021-05-04 — — US disclosed
US-20190152985-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2019-05-23 — — 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-20190152985-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 KMT2A 2031/4885ALDH1A1 49/4885HPGD 821/4885
US-10995098-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CYP1A1, CYP1B1 KMT2A 2031/4885ALDH1A1 49/4885HPGD 821/4885

“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.

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