SCHEMBL17488481

SCHEMBL17488481

COCC(C)C(=O)ON1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.31
CHRM1 P11229 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
SCHEMBL12311403 0.81 EPHX2 (0.34) ALDH1A1KMT2ARAB9ACHRM1
SCHEMBL12311413 0.77 EPHX2 (0.34) ALDH1A1KMT2ARAB9ACHRM1
SCHEMBL5074820 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5874768 0.74 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL15153153 0.74 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL11887150 0.74 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL2328907 0.74 CHRM1 (0.35) CHRM1
SCHEMBL8827349 0.74 SLC6A2 (0.35)
SCHEMBL6944682 0.72 DPP4 (0.33)
SCHEMBL7718861 0.72 ALDH1A1 (0.36) ALDH1A1TDP1KMT2A

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-9636412-B2 Conjugates of an anti-TNF-alpha antibody NEKTAR THERAPEUTICS (US) 2017-05-02 US disclosed
US-20160030587-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY NEKTAR THERAPEUTICS 2016-02-04 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-20160030587-A1 CONJUGATES OF AN ANTI-TNF-ALPHA ANTIBODY TNF, TNFRSF1A, TNFRSF9 ALDH1A1 2494/4885TDP1 1186/4885KMT2A 4160/4885

“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.