SCHEMBL10034236

SCHEMBL10034236

Brc1ccc2ccc3cc4[nH]c5ccccc5c4c4ccc1c2c34

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 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
SCHEMBL2601572 1.00 CDK4 (0.45) CDK4CCND1KDM4ELMNAHTT
SCHEMBL12240739 0.88 CDK4 (0.54) CDK4CCND1KDM4ELMNAHTT
SCHEMBL2601601 0.85 CDK4 (0.54) CDK4CCND1KDM4EALDH1A1IMPDH2
SCHEMBL10034249 0.85 CDK4 (0.54) CDK4CCND1KDM4EALDH1A1IMPDH2
SCHEMBL31376340 0.85 AHR (0.55) CDK4CCND1KDM4ELMNAHTT
SCHEMBL14708661 0.85 AHR (0.55) CDK4CCND1KDM4ELMNAHTT
SCHEMBL14460567 0.80 KIF11 (0.51) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL14460537 0.80 KIF11 (0.51) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL14330620 0.80 ADORA3 (0.53) CDK4CCND1KDM4EGABRPGABRD
SCHEMBL14330618 0.80 ADORA3 (0.41) CDK4CCND1ACHEKIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455867-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 US disclosed
US-8455867-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 US disclosed
US-8431251-B2 Heterocyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-04-30 US disclosed
US-8405074-B2 2013-03-26 US disclosed
US-8405074-B2 2013-03-26 US disclosed
US-20130001524-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
US-20130001524-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
EP-2447250-A1 Organic light-emitting device Samsung Mobile Display Co., Ltd. (KR) 2012-05-02 EP disclosed
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 US disclosed
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 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-20130001524-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME C9, C1S, C5 CDK4 845/4885CCND1 51/4885KDM4E 3752/4885
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE KCNT1, KCNA1, TRPA1 CDK4 1417/4885CCND1 673/4885KDM4E 1280/4885

“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.