SCHEMBL5598381

SCHEMBL5598381

C=C(C)c1cccc(CCC2CCCN2C)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
KCNH2 Q12809 1/20 0.43
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRM3 P20309 1/20 0.41

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
SCHEMBL614277 0.84 SLC18A2 (0.44) SLC18A2CHRNB2CHRNA4KCNH2CHRNA5
SCHEMBL2691261 0.77 SLC18A2 (0.70) SLC18A2
SCHEMBL27118538 0.76 HTR2A (0.42) KCNH2
SCHEMBL609099 0.75 HRH3 (0.60) HRH3
SCHEMBL610317 0.75 SIGMAR1 (0.54) HRH3KCNH2
SCHEMBL609873 0.74 HRH3 (0.59) HRH3
SCHEMBL818365 0.74 HRH3 (0.59) HRH3
SCHEMBL13456530 0.74 CYP4F2 (0.36)
SCHEMBL9963995 0.73 SLC18A2 (0.68) SLC18A2
SCHEMBL11447497 0.72 HRH3 (0.49) HRH3CHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7222650-B2 Tire with a tread comprising a rubbery polymer of a functionalized monomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2007-05-29 US disclosed
US-6995224-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-02-07 US disclosed
US-6936669-B2 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-08-30 US disclosed
US-6933358-B2 Reacting secordary amine with 2,3-dihalopropene forming monomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-08-23 US disclosed
US-20050131181-A1 FUNCTIONALIZED MONOMERS FOR SYNTHESIS OF RUBBERY POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY 2005-06-16 US disclosed
US-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-20040122194-A1 Functionalized monomers for synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-20040048972-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-11 US disclosed
US-20040044157-A1 Functionalized monomers for synthesis of rubbery polymers GOODYEAR TIRE & RUBBER COMPANY, THE 2004-03-04 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-20040122224-A1 Functionalized monomers for synthesis of rubbery polymers PRMT1, DDR2, DNMT3A SLC18A2 3734/4885HRH3 263/4885CHRNB4 3245/4885

“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.