SCHEMBL13828829

SCHEMBL13828829

Brc1ccc(-c2ccc3[nH]c4ccc5ccccc5c4c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.59
CCND1 P24385 8/20 0.59
MAPT P10636 1/20 0.42
NR1I3 Q14994 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 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
SCHEMBL23966739 0.91 CDK4 (0.65) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL17563211 0.89 CDK4 (0.73) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL23609819 0.89 CDK4 (0.73) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL10044741 0.87 CDK4 (0.53) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL16656490 0.86 CDK4 (0.57) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL22870169 0.86 CDK4 (0.60) CDK4CCND1MAPTGABRPGABRD
SCHEMBL23609720 0.86 CDK4 (0.60) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL15002854 0.85 CDK4 (0.59) CDK4CCND1MAPTGABRPGABRD
SCHEMBL31622 0.83 CDK4 (0.51) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL30849130 0.83 CDK4 (0.51) CDK4CCND1GABRPGABRDGABRA1

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-8808880-B2 Condensed-cyclic compound, organic light-emitting device comprising the same, and flat panel display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-19 US disclosed
US-8808880-B2 Condensed-cyclic compound, organic light-emitting device comprising the same, and flat panel display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-19 US disclosed
US-20120286247-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-11-15 US disclosed
US-20120286247-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-11-15 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 (1 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-20120286247-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS CCND1, CCND2, CCNE2 CDK4 172/4885CCND1 1/4885MAPT 1875/4885

“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.