SCHEMBL20152519

SCHEMBL20152519

CC(C)c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
PTPN5 P54829 2/20 0.44
CYP19A1 P11511 1/20 0.43
DHODH Q02127 1/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2A P29274 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PFKFB3 Q16875 1/20 0.41

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
SCHEMBL23719327 0.86 MEN1 (0.44) RXRARXRBRXRGMEN1KMT2A
SCHEMBL20052632 0.86 MEN1 (0.54) RXRARXRBRXRGMEN1KMT2A
SCHEMBL20152517 0.84 MEN1 (0.57) RXRARXRBRXRGMEN1KMT2A
SCHEMBL4351608 0.84 DHODH (0.54) MEN1KMT2ARAB9ACYP19A1DHODH
SCHEMBL21076103 0.83 MEN1 (0.47) MEN1KMT2ARAB9ACYP19A1DHODH
SCHEMBL18790497 0.83 RXRA (0.47) RXRARXRBRXRGPTPN5ALDH1A1
SCHEMBL9704476 0.83 MEN1 (0.50) MEN1KMT2ARAB9ADHODHADORA1
SCHEMBL611807 0.82 RXRA (0.67) RXRARXRBRXRGCTSSCTSK
SCHEMBL29681626 0.82 RXRA (0.67) RXRARXRBRXRGCTSSCTSK
SCHEMBL3626772 0.81 CTSS (0.50) RXRARXRBRXRGMEN1KMT2A

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-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 RXRA 215/4885RXRB 546/4885RXRG 292/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 RXRA 922/4885RXRB 1455/4885RXRG 1327/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 RXRA 215/4885RXRB 546/4885RXRG 292/4885

“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.