SCHEMBL3418372

SCHEMBL3418372

CCCC/C=C/c1ccccc1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
PDE5A O76074 1/20 0.43
CYP1A2 P05177 6/20 0.39
TSHR P16473 6/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 5/20 0.39
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 1/20 0.38
OXER1 Q8TDS5 1/20 0.36
TLR8 Q9NR97 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP2D6 P10635 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
IAPP P10997 1/20 0.34

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
SCHEMBL3418375 1.00 CYSLTR2 (0.46) CYSLTR2CYSLTR1PDE5ACYP1A2TSHR
SCHEMBL4319682 0.93 CYSLTR2 (0.53) CYSLTR2CYSLTR1PDE5AOXER1SOAT2
SCHEMBL4319685 0.93 CYSLTR2 (0.53) CYSLTR2CYSLTR1PDE5AOXER1SOAT2
SCHEMBL11835698 0.93 CYSLTR2 (0.53) CYSLTR2CYSLTR1PDE5AOXER1SOAT2
SCHEMBL11835702 0.93 CYSLTR2 (0.53) CYSLTR2CYSLTR1PDE5AOXER1SOAT2
SCHEMBL3417562 0.89 TLR8 (0.45) CYSLTR2CYSLTR1PDE5ATSHRALDH1A1
SCHEMBL3417560 0.89 TLR8 (0.45) CYSLTR2CYSLTR1PDE5ATSHRALDH1A1
SCHEMBL5033527 0.81 PDE5A (0.43) CYSLTR2CYSLTR1PDE5ACYP1A2TSHR
SCHEMBL6046925 0.80 CYSLTR2 (0.50) CYSLTR2CYSLTR1PDE5ATLR8SOAT2
SCHEMBL3421085 0.80 LMNA (0.33) CYSLTR2CYSLTR1TSHRALDH1A1TLR8

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-7767739-B2 Cyanato group-containing cyclic phosphazene compound and method for producing the same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 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-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same CENPE, CPNE4, MCM3 CYSLTR2 1448/4885CYSLTR1 1963/4885PDE5A 2712/4885

“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.