SCHEMBL19656636

SCHEMBL19656636

CC(C)CC(CNC(C)C)COC(=O)NCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.36
ADRB1 P08588 13/20 0.36
ADRB3 P13945 13/20 0.36

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
SCHEMBL19651555 0.89 SMN1; SMN2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL19355186 0.80 SMN1; SMN2 (0.46)
SCHEMBL19651556 0.80 SMN1; SMN2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL19355185 0.74 CYP2D6 (0.42) ADRB2ADRB1ADRB3
SCHEMBL19656624 0.72 KDM4E (0.36) ADRB2ADRB1ADRB3
SCHEMBL17793973 0.72 SMN1; SMN2 (0.34)
SCHEMBL21674072 0.71 CHRNB2 (0.44)
SCHEMBL19656717 0.71 TSHR (0.38)
SCHEMBL8533788 0.70 CYP3A4 (0.51)
SCHEMBL6141476 0.70 LMNA (0.47)

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 ADRB2 3196/4885ADRB1 2719/4885ADRB3 2035/4885

“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.