SCHEMBL20457583

SCHEMBL20457583

C(=C\CC1CCCCCCCC1)\CSCC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.37
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL29860701 0.76 ADH1B (0.36) CHRM2CHRM4CHRM5CHRM1
SCHEMBL10311789 0.74 ALOX5 (0.43) TBXA2RCHRM2CHRM4CHRM5CHRM1
SCHEMBL7597476 0.74 CYP1A2 (0.33) TBXA2RCHRM2CHRM4CHRM5CHRM1
SCHEMBL7440315 0.74 EPHX1 (0.39) TBXA2RCHRM2CHRM4CHRM5CHRM1
SCHEMBL27475440 0.74 EPHX1 (0.39) TBXA2RCHRM2CHRM4CHRM5CHRM1
SCHEMBL20707964 0.72 TBXA2R (0.31) TBXA2R
SCHEMBL29953593 0.71 ADH1B (0.37) TBXA2RCHRM2CHRM4CHRM5CHRM1
SCHEMBL8976389 0.71 EPHX1 (0.35) TBXA2RCHRM2CHRM4CHRM5CHRM1
SCHEMBL14653055 0.70 SIGMAR1 (0.34) CHRM2CHRM4CHRM5CHRM1EPHX1
SCHEMBL4254639 0.70 SIGMAR1 (0.34) CHRM2CHRM4CHRM5CHRM1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040819-B2 Chemically modifying peptides THE UNIVERSITY OF DURHAM (GB) 2018-08-07 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-10040819-B2 Chemically modifying peptides PTMS, DNPEP, NGLY1 TBXA2R 3538/4885CHRM2 4711/4885CHRM4 4179/4885

“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.