SCHEMBL4547017

SCHEMBL4547017

Brc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(Br)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.59
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
HK1 P19367 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
CYP19A1 P11511 1/20 0.50
NPC1 O15118 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
IDO1 P14902 2/20 0.47

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
SCHEMBL21879709 0.98 MCL1 (0.58) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL12698560 0.98 MCL1 (0.58) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2743814 0.98 MCL1 (0.57) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29993047 0.96 GABRA1 (0.57) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL15857350 0.96 GABRA1 (0.57) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1034535 0.96 MCL1 (0.56) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL28586041 0.94 GABRA1 (0.60) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL17956715 0.93 GABRA1 (0.58) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL4547014 0.92 MCL1 (0.53) MCL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL13203570 0.91 GABRA1 (0.60) MCL1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11031561-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-06-08 US disclosed
US-20200168807-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME DYDEN CORPORATION (JP) 2020-05-28 US disclosed
WO-2017115578-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 大電株式会社 2017-07-06 WO disclosed
US-8754399-B2 Organic electroluminescence element, organic electroluminescence device, organic el display device, and organic el lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2014-06-17 US disclosed
US-8754399-B2 Organic electroluminescence element, organic electroluminescence device, organic el display device, and organic el lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2014-06-17 US disclosed
US-20130134402-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-30 US disclosed
US-20130134402-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-30 US disclosed
US-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 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-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO2B1 MCL1 4592/4885GABRA1 3494/4885GABRG2 2684/4885

“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.