SCHEMBL6571930

SCHEMBL6571930

C=Cc1cc(C=Cc2cc(C=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)cc(C=Cc2cc(C=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HMGCR P04035 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2427389 1.00 GABRA1 (0.39) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL2789906 0.91 GABRA1 (0.46) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL2033159 0.90 ALDH1A1 (0.42) GABRA1GABRB2MAPTTP53TDP1
SCHEMBL7759021 0.88 ALDH1A1 (0.44) GABRA1GABRB2MAPTTP53TDP1
SCHEMBL6876801 0.88 ALDH1A1 (0.44) GABRA1GABRB2MAPTTP53TDP1
SCHEMBL6573320 0.82 TP53 (0.46) GABRA1GABRB2MAPTTP53TDP1
SCHEMBL6573426 0.82 TP53 (0.46) GABRA1GABRB2MAPTTP53TDP1
SCHEMBL6573201 0.82 TP53 (0.46) GABRA1GABRB2MAPTTP53TDP1
SCHEMBL20384786 0.81 GABRA1 (0.38) GABRA1GABRB2HMGCRMAPTPOLB
SCHEMBL12357842 0.79 GABRA1 (0.37) GABRA1GABRB2HMGCRPOLB

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 GABRA1 1200/4885GABRB2 763/4885HMGCR 4079/4885

“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.