SCHEMBL13044282

SCHEMBL13044282

CCC(C)COc1ccc(-c2cc3ccc(C)cc3c3cc(C)ccc23)cc1OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
TLR8 Q9NR97 1/20 0.34
MCHR1 Q99705 1/20 0.34
XDH P47989 3/20 0.34
SCN9A Q15858 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12664828 0.86 TLR8 (0.35) DHODHALDH1A1GAAMAPTTHRB
SCHEMBL13044262 0.82 TLR8 (0.36) DHODHALDH1A1GAAMAPTTHRB
SCHEMBL801374 0.79 TLR8 (0.36) DHODHALDH1A1GAAMAPTTHRB
SCHEMBL13044275 0.79 TLR8 (0.34) DHODHALDH1A1GAAMAPTTHRB
SCHEMBL14610194 0.78 TLR8 (0.38) DHODHALDH1A1GAAMAPTTLR8
SCHEMBL801378 0.76 TLR8 (0.34) DHODHALDH1A1GAAMAPTTHRB
SCHEMBL13607200 0.75 KDM4E (0.47) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL13044268 0.74 KDM4E (0.33) MAPTTLR8PDE4APDE4BPDE4C
SCHEMBL5147675 0.74 TLR8 (0.45) DHODHALDH1A1GAAMAPTTLR8
SCHEMBL801119 0.72 KDM4E (0.33) MAPTTLR8PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100288974-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-11-18 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-20100288974-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF EPN1, PUF60, MAP1LC3C DHODH 2594/4885ALDH1A1 40/4885GAA 629/4885

“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.