SCHEMBL14262003

SCHEMBL14262003

CCCCOc1c(F)cc(CCCOC)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PTGS2 P35354 4/20 0.35
CYP3A4 P08684 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9399522 0.82 HTR2A (0.47) THRATHRBPTGS2CYP3A4SMN1; SMN2
SCHEMBL13242466 0.77 THRA (0.41) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL14261965 0.77 THRA (0.41) THRATHRB
SCHEMBL14271092 0.75 TNKS2 (0.40) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL13242468 0.75 GRIN2D (0.40) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL9399575 0.73 RARB (0.55) CYP3A4SMN1; SMN2HPGDMAPK1RAB9A
SCHEMBL17806149 0.73 THRA (0.45) THRATHRBPTGS2RARB
SCHEMBL13088151 0.73 GRIN2D (0.40) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL14050116 0.73 GRIN2D (0.40) THRATHRBGRIN2DGRIN3BGRIN1
SCHEMBL13062423 0.73 CCNB2 (0.46) THRATHRBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9059410-B2 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-06-16 US disclosed
US-9059410-B2 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-06-16 US disclosed
US-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-03-06 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-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same SLCO4C1, SLCO2A1, SLCO1A2 THRA 4509/4885THRB 4729/4885GRIN2D 2324/4885

“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.