SCHEMBL3264978

SCHEMBL3264978

CC(C)(C)c1cc(C=Cc2cc(C=Cc3cc(C=O)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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HMGCR P04035 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CYP1A2 P05177 1/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL3201259 1.00 GABRA1 (0.39) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL2032568 1.00 GABRA1 (0.39) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL189788 0.91 GABRA1 (0.46) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL14005550 0.91 GABRA1 (0.40) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL2033311 0.88 HMGCR (0.32) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL2033312 0.88 HMGCR (0.32) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL10024117 0.83 CYP1A2 (0.53) MAPTTP53MAPK1SMN1; SMN2CYP1A2
SCHEMBL10024113 0.83 CYP1A2 (0.53) MAPTTP53MAPK1SMN1; SMN2CYP1A2
SCHEMBL6573320 0.82 TP53 (0.46) GABRA1GABRB2MAPTTP53CYP3A4
SCHEMBL6573201 0.82 TP53 (0.46) GABRA1GABRB2MAPTTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7682708-B2 Dendrimers ISIS INNOVATION LIMITED (GB) 2010-03-23 US disclosed
US-20080004471-A1 Dendrimers OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2008-01-03 US disclosed
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 (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-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
US-20080004471-A1 Dendrimers NPY1R, CHRM1, TLR1 GABRA1 1293/4885GABRB2 1652/4885HMGCR 4158/4885

“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.