SCHEMBL19862833

SCHEMBL19862833

CC(C)(C)c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
CCR4 P51679 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL19313725 0.90 PPARG (0.44) RAB9ANPC1TP53SMN1; SMN2ABCG2
SCHEMBL19313816 0.88 TP53 (0.48) RAB9ANPC1TP53SMN1; SMN2ABCG2
SCHEMBL17725251 0.86 TP53 (0.47) RAB9ANPC1TP53SMN1; SMN2ABCG2
SCHEMBL17725318 0.86 SMN1; SMN2 (0.49) RAB9ANPC1TP53SMN1; SMN2ABCG2
SCHEMBL1023160 0.84 PPARG (0.53) CCR4HDAC8HDAC6LMNATNKS
SCHEMBL15458312 0.84 ABCG2 (0.45) RAB9ANPC1TP53SMN1; SMN2ABCG2
SCHEMBL15458321 0.83 ABCG2 (0.43) RAB9ATP53SMN1; SMN2ABCG2CCR4
SCHEMBL17547234 0.83 HDAC8 (0.53) RAB9ANPC1TP53SMN1; SMN2KDM4E
SCHEMBL21991435 0.83 HDAC8 (0.53) RAB9ANPC1TP53SMN1; SMN2KDM4E
SCHEMBL23473685 0.83 ALDH1A1 (0.49) RAB9ANPC1TP53SMN1; SMN2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 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-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 RAB9A 3245/4885NPC1 3818/4885TP53 2799/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 RAB9A 3245/4885NPC1 3818/4885TP53 2799/4885

“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.