SCHEMBL19729271

SCHEMBL19729271

CC(C)N(C(C)C)C(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
CYP1A2 P05177 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
MME P08473 2/20 0.34
TP53 P04637 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL6435732 1.00 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6CYP1A2SLC7A5
Hydrochloric Acid SCHEMBL6946983 0.98 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6CYP1A2SLC7A5
SCHEMBL6323189 0.85 TDP1 (0.48) TDP1SMN1; SMN2SLC22A6FOLH1
SCHEMBL19729285 0.84 ALDH1A1 (0.44) TDP1SLC7A5TP53
SCHEMBL4998500 0.84 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6CYP1A2CACNA2D1
SCHEMBL7777426 0.84 SMN1; SMN2 (0.42) TDP1SMN1; SMN2SLC22A6CYP1A2CACNA2D1
SCHEMBL19729250 0.84 SLC22A6 (0.35) TDP1SMN1; SMN2SLC22A6CACNA2D1CACNB3
SCHEMBL629343 0.84 SMN1; SMN2 (0.42) TDP1SMN1; SMN2SLC22A6CYP1A2CACNA2D1
SCHEMBL22383981 0.82 SLC7A5 (0.37) SLC7A5TP53
SCHEMBL19729254 0.82 CACNA2D1 (0.36) TDP1SMN1; SMN2SLC22A6SLC7A5CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 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 (2 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-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B TDP1 536/4885SMN1; SMN2 292/4885SLC22A6 1121/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B TDP1 536/4885SMN1; SMN2 292/4885SLC22A6 1121/4885

“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.