SCHEMBL1611405

SCHEMBL1611405

CCCCCC/C=[C]\c1cc(C)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GAA P10253 2/20 0.31
PDE5A O76074 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
GPX4 P36969 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 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
SCHEMBL1612160 0.98 CNR1 (0.33) CNR1CNR2HTTALDH1A1LMNA
SCHEMBL1611559 0.93 PDE5A (0.35) CNR1CNR2ALDH1A1LMNAALOX12
SCHEMBL1610580 0.87 CNR1 (0.33) CNR1CNR2HTTALDH1A1TLR8
SCHEMBL1610489 0.86 GRM5 (0.34) ALDH1A1FFAR1GRM5TDP1
SCHEMBL1610562 0.85 TLR8 (0.33) CNR1CNR2HTTALDH1A1LMNA
SCHEMBL1611393 0.81 TSHR (0.34) TSHR
SCHEMBL1610600 0.80 PDE5A (0.35) ALDH1A1LMNAALOX12TLR8GAA
SCHEMBL1611147 0.80 TSHR (0.38) CNR1CNR2HTTALDH1A1ALOX12
SCHEMBL1612595 0.79 GRM5 (0.36) ALDH1A1FFAR1GRM5TP53TDP1
SCHEMBL1611096 0.79 TSHR (0.31) TSHR

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 CNR1 3215/4885CNR2 3192/4885HTT 774/4885

“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.