SCHEMBL6405547

SCHEMBL6405547

Brc1ccc(Nc2c(-c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.48
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.39
RRM1 P23921 1/20 0.39
KDM1A O60341 5/20 0.39
ATM Q13315 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CDC25B P30305 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.38
RCE1 Q9Y256 1/20 0.38
EPAS1 Q99814 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL4236618 0.97 ABCG2 (0.46) ABCG2ALDH1A1MAPTKDM4EHTT
SCHEMBL5145522 0.94 ALDH1A1 (0.42) ABCG2ALDH1A1MAPTKDM4EHTT
SCHEMBL4979017 0.89 HSD17B10 (0.48) ABCG2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL4232444 0.87 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ATP53KDM1A
SCHEMBL15400423 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL4239262 0.82 KDM1A (0.53) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL1997727 0.81 CA1 (0.43) ALDH1A1MAPTKDM4EKMT2ATP53
SCHEMBL23780947 0.80 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EKMT2ATP53
SCHEMBL12745248 0.80 ALDH1A1 (0.52) ABCG2ALDH1A1MAPTKDM4EHTT
SCHEMBL2869307 0.79 KDM1A (0.46) ALDH1A1MAPTKDM4EHTTKMT2A

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
EP-1725632-B1 ORGANIC ELECTROLUMINESCENCE DEVICES COMPRISING NEW MATERIALS FOR INJECTING HOLES LG CHEMICAL LTD (KR) 2014-04-30 EP disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
CN-1906268-A New materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEMICAL LTD (KR) 2007-01-31 CN disclosed
US-20050225235-A1 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2005-10-13 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-20050225235-A1 Materials for injecting or transporting holes and organic electroluminescence devices using the same SLCO4C1, SLC18A3, SLCO2A1 ABCG2 787/4885ALDH1A1 757/4885MAPT 405/4885

“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.