SCHEMBL1610562

SCHEMBL1610562

CCCCC/C=[C]\c1ccc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.33
ALDH1A1 P00352 2/20 0.32
PDE5A O76074 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1610580 0.98 CNR1 (0.33) TLR8ALDH1A1PDE5AGAAMAPT
SCHEMBL1610600 0.95 PDE5A (0.35) TLR8ALDH1A1PDE5AGAAMAPT
SCHEMBL1610737 0.88 TP53 (0.33) TP53TDP1
SCHEMBL1612160 0.87 CNR1 (0.33) TLR8ALDH1A1PDE5AGAAMAPT
SCHEMBL1611405 0.85 CNR1 (0.35) TLR8ALDH1A1PDE5AGAAMAPT
SCHEMBL1611559 0.81 PDE5A (0.35) TLR8ALDH1A1PDE5AGAAMAPT
SCHEMBL1610179 0.80 TDP1 (0.35) ALDH1A1TP53TDP1CYP1A2CYP2A6
SCHEMBL1611096 0.80 TSHR (0.31)
SCHEMBL1610285 0.79 TSHR (0.39) TLR8ALDH1A1MAPTTP53TDP1
SCHEMBL1611393 0.79 TSHR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TLR8 4323/4885ALDH1A1 137/4885PDE5A 3568/4885

“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.