SCHEMBL1609952

SCHEMBL1609952

CCCCCC/C=[C]\c1cccc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TSHR P16473 2/20 0.34
FAAH O00519 1/20 0.34
TLR8 Q9NR97 2/20 0.33
KCNH2 Q12809 3/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP2D6 P10635 1/20 0.32
FFAR1 O14842 1/20 0.31
MMP2 P08253 2/20 0.31
F7 P08709 2/20 0.31
F3 P13726 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ECE1 P42892 1/20 0.31
SGMS1 Q86VZ5 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
MUS81 Q96NY9 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1610884 0.98 TSHR (0.35) CNR1CNR2TSHRFAAHTLR8
SCHEMBL1612354 0.93 TSHR (0.36) CNR1CNR2TSHRTLR8FFAR1
SCHEMBL1611147 0.87 TSHR (0.38) CNR1CNR2TSHRFAAHCYP2D6
SCHEMBL1611076 0.86 TSHR (0.34) TSHRFFAR1
SCHEMBL1612167 0.85 TSHR (0.31) TSHR
SCHEMBL1610285 0.85 TSHR (0.39) TSHRFAAHTLR8CYP2D6FFAR1
SCHEMBL1610806 0.83
SCHEMBL1610571 0.81 FAAH (0.36) CNR1CNR2TSHRFAAHTLR8
SCHEMBL1609667 0.80 TSHR (0.41) TSHRCYP2D6P2RX7
SCHEMBL1610837 0.80 TLR8 (0.36) CNR1CNR2TSHRFAAHTLR8

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 3192/4885TSHR 2994/4885

“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.