SCHEMBL21736339

SCHEMBL21736339

CC1(C)c2ccc(-c3ccc4ccccc4c3)cc2-c2nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3)c(-c3ccccc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
NPY5R Q15761 1/20 0.32
CAMK2D Q13557 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL20669810 0.90 TUBB4A (0.35) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL21736091 0.86 KDM4E (0.35) NPY5RKDM4EATML3MBTL1
SCHEMBL20670026 0.85 NPY5R (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21736108 0.85 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL20670183 0.84 PTGER4 (0.33) NPY5RKDM4EATML3MBTL1
SCHEMBL21736038 0.82 KDM4E (0.30) KDM4EATML3MBTL1
SCHEMBL21736248 0.82 NPY5R (0.31) NPY5RKDM4EATML3MBTL1
SCHEMBL21736047 0.81 MKNK1 (0.35) NPY5RPIK3CA
SCHEMBL20669757 0.81 KDM5B (0.32) ADORA2A
SCHEMBL21736396 0.80 ADORA2A (0.32) ADORA2AADORA1

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 ADORA2A 3457/4885ADORA1 1356/4885TUBB4A 2565/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 ADORA2A 3457/4885ADORA1 1356/4885TUBB4A 2565/4885

“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.