SCHEMBL22172829

SCHEMBL22172829

c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6cccc(-c7ccccc7-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9-c9ccccc9)ccc87)c6)cc5)c4)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSPO P30536 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 1/20 0.36
DNM1 Q05193 1/20 0.35
MGLL Q99685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PRKDC P78527 2/20 0.34
ASH1L Q9NR48 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL23119059 1.00 KDM4E (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22172808 1.00 KDM4E (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22172908 1.00 KDM4E (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22173361 0.99 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22172807 0.99 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22173035 0.98 ATM (0.42) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22172822 0.98 ATM (0.42) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22173224 0.98 ATM (0.42) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22173028 0.98 ATM (0.42) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL22173360 0.98 ATM (0.42) KDM4EATML3MBTL1TSPOALDH1A1

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-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-01-03 US disclosed
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 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 (3 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-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 KDM4E 3931/4885ATM 1887/4885L3MBTL1 175/4885
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 KDM4E 3931/4885ATM 1887/4885L3MBTL1 175/4885
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 KDM4E 3931/4885ATM 1887/4885L3MBTL1 175/4885

“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.