SCHEMBL1611045

SCHEMBL1611045

CCCCCCC[CH]c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
FAAH O00519 1/20 0.38
TLR8 Q9NR97 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
TSHR P16473 2/20 0.37
P2RX7 Q99572 1/20 0.35
MMP2 P08253 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ECE1 P42892 1/20 0.35
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MUS81 Q96NY9 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL1610792 1.00 KCNH2 (0.38) KCNH2FAAHTLR8GPR84TSHR
SCHEMBL3111748 0.98 TLR8 (0.38) KCNH2FAAHTLR8GPR84TSHR
SCHEMBL1610190 0.92 TSHR (0.34) KCNH2FAAHTLR8GPR84TSHR
SCHEMBL1609827 0.83 CYP2A6 (0.36) TSHRKDM4EMAPT
SCHEMBL1610856 0.82 TSHR (0.35) FAAHTSHRKDM4EMAPTHTT
SCHEMBL1611701 0.82 TSHR (0.35) FAAHTSHRKDM4EMAPTHTT
SCHEMBL1610004 0.80 NPC1 (0.32) FAAHTSHRKDM4EMAPTHTT
SCHEMBL1610474 0.80 CCR5 (0.38) FAAHTSHRCNR2HTT
SCHEMBL1610870 0.80 CCR5 (0.38) FAAHTSHRCNR2HTT
SCHEMBL1612511 0.79 CNR1 (0.37) KCNH2FAAHTLR8GPR84TSHR

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 KCNH2 92/4885FAAH 4640/4885TLR8 4323/4885

“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.