SCHEMBL21085294

SCHEMBL21085294

CCC(C)n1c2ccc(C#N)cc2c2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
PGR P06401 4/20 0.39
AR P10275 4/20 0.39
NR3C1 P04150 2/20 0.39
NR3C2 P08235 2/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
ALK Q9UM73 1/20 0.37
SLC6A4 P31645 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 3/20 0.37
DHFR P00374 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP19A1 P11511 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL21076113 0.82 MEN1 (0.41) HRH3PGRARALKSLC6A4
SCHEMBL29311393 0.76 KDM4E (0.39) HRH3PGRARNR3C1NR3C2
SCHEMBL4726966 0.75 MEN1 (0.52) MEN1KMT2ARORCPTGER4
SCHEMBL21076080 0.75 RORC (0.52) SLC6A4MEN1KMT2ARORCCYP2A6
SCHEMBL12018940 0.75 DHFR (0.40) PGRMEN1KMT2ARORCDHFR
SCHEMBL19915946 0.74 HCAR3 (0.58) HRH3DRD2DRD3MEN1KMT2A
SCHEMBL26435981 0.74 PTGER4 (0.44) DHFRSLC2A1PTGER4
SCHEMBL13325030 0.74 DNM1 (0.43) DHFRSLC2A1
SCHEMBL29858321 0.72 EGFR (0.46) SLC6A4MEN1KMT2ACYP2A6
SCHEMBL6363289 0.72 EGFR (0.46) SLC6A4MEN1KMT2ACYP2A6

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-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 US disclosed
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-29 US disclosed
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA HRH3 3384/4885PGR 1412/4885AR 4237/4885
US-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 HRH3 3680/4885PGR 1687/4885AR 3967/4885
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, SLCO1B3, CRY2 HRH3 3680/4885PGR 1687/4885AR 3967/4885

“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.