SCHEMBL19862789

SCHEMBL19862789

CC(C)(C)c1cccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.57
RXRA P19793 3/20 0.55
RXRB P28702 3/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP19A1 P11511 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2B P29275 1/20 0.42
MCL1 Q07820 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PTPN1 P18031 1/20 0.41
DHODH Q02127 1/20 0.40
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19735237 0.97 KIF11 (0.56) KIF11RXRARXRBMEN1KMT2A
SCHEMBL18326859 0.95 KIF11 (0.54) KIF11RXRARXRBMEN1KMT2A
SCHEMBL20089422 0.95 KIF11 (0.54) KIF11RXRARXRBMEN1KMT2A
SCHEMBL18627727 0.91 MEN1 (0.50) KIF11RXRARXRBMEN1KMT2A
SCHEMBL23959652 0.88 RXRB (0.53) KIF11RXRARXRBMEN1KMT2A
SCHEMBL23959672 0.88 RXRB (0.53) KIF11RXRARXRBMEN1KMT2A
SCHEMBL23959670 0.88 RXRB (0.53) KIF11RXRARXRBMEN1KMT2A
SCHEMBL23959669 0.88 MEN1 (0.49) KIF11RXRARXRBMEN1KMT2A
SCHEMBL23959671 0.88 RXRB (0.53) KIF11RXRARXRBMEN1KMT2A
SCHEMBL19735240 0.88 MEN1 (0.51) KIF11MEN1KMT2ACYP19A1RAB9A

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 KIF11 2816/4885RXRA 238/4885RXRB 496/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 KIF11 2816/4885RXRA 238/4885RXRB 496/4885

“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.