SCHEMBL6573320

SCHEMBL6573320

CC(C)(C)c1cc(C=Cc2cc(C=Cc3cc(C=Cc4ccc(C=Cc5cc(C=Cc6cc(C=Cc7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C=Cc7cc(C(C)(C)C)cc(C(C)(C)C)c7)c6)cc(C=Cc6cc(C=Cc7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(C=Cc7cc(C(C)(C)C)cc(C(C)(C)C)c7)c6)c5)cc4)cc(C=Cc4cc(C=Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(C=Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c3)cc(C=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGS2 P35354 4/20 0.46
PTGS1 P23219 3/20 0.46
CYP1A2 P05177 2/20 0.45
APP P05067 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
NFE2L2 Q16236 1/20 0.40
AHR P35869 2/20 0.39
ESR1 P03372 2/20 0.39
TTR P02766 2/20 0.39

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
SCHEMBL6573201 1.00 TP53 (0.46) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL6573426 1.00 TP53 (0.46) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL2029883 0.92 PTGS1 (0.58) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL2033159 0.90 ALDH1A1 (0.42) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL7759021 0.87 ALDH1A1 (0.44) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL6876801 0.87 ALDH1A1 (0.44) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL13913121 0.87 TUBB1 (0.61) TP53CYP3A4PTGS2PTGS1CYP1A2
SCHEMBL8099032 0.86 TTR (0.48) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL13636748 0.86 PTGS1 (0.42) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL2032545 0.85 TP53 (0.38) TP53CYP3A4MAPTALOX15MAPK1

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-1027398-B1 LIGHT-EMITTING DENDRIMERS AND DEVICES ISIS INNOVATION (GB) 2004-06-09 EP disclosed
US-6720093-B2 DEVICE INCORPORATING AS, OR IN, ITS LIGHT-EMITTING ELEMENT LUMINESCENT COMPOUND INCLUDING CONJUGATED DENDRITIC MOLECULAR STRUCTURE COMPRISING GROUPS SELECTED FROM ARYL AND HETEROARYL GROUPS AND ALKENYL GROUPS CONNECTED TO EACH OTHER CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2004-04-13 US disclosed
US-20030165716-A1 Dendrimers according to present invention which can be used for incorporation into light emitting devices have core and/or branches comprising electroluminescent or charge-transporting chromophores (conjugated units) CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2003-09-04 US disclosed
US-6558818-B1 Light-emitting dendrimers and devices ISIS INNOVATION LTD. (GB) 2003-05-06 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 (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-20030165716-A1 Dendrimers according to present invention which can be used for incorporation into light emitting devices have core and/or branches comprising electroluminescent or charge-transporting chromophores (conjugated units) CLTB, CLTA, CLTC TP53 4661/4885CYP3A4 2012/4885MAPT 572/4885

“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.