SCHEMBL21147787

SCHEMBL21147787

c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6-n6c7ccccc7c7ccccc76)n5)c4)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ATM Q13315 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL21146987 1.00 ALDH1A1 (0.34) ALDH1A1TSHRMEN1MAPTHPGD
SCHEMBL21146991 1.00 ALDH1A1 (0.34) ALDH1A1TSHRMEN1MAPTHPGD
SCHEMBL21146992 0.96 ALDH1A1 (0.35) ALDH1A1TSHRMEN1MAPTHPGD
SCHEMBL21147794 0.95 MEN1 (0.34) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL21147534 0.95 MEN1 (0.34) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL24153022 0.95 ALDH1A1 (0.37) ALDH1A1TSHRMEN1MAPTHPGD
SCHEMBL21147265 0.95 MEN1 (0.36) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL21146936 0.95 MEN1 (0.36) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL21146945 0.95 MEN1 (0.36) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL21147405 0.95 MEN1 (0.36) ALDH1A1MEN1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-20200212314-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 US disclosed
EP-3675194-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-07-01 EP disclosed
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-11 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-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CRY1, CYP1B1, CYP1A1 ALDH1A1 40/4885TSHR 3625/4885MEN1 252/4885
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, CYP1B1, CYP1A1 ALDH1A1 40/4885TSHR 3625/4885MEN1 252/4885

“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.