SCHEMBL20065595

SCHEMBL20065595

CC(C)OP(=O)(CC1CO1)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL11185252 0.77 SMN1; SMN2 (0.34) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL10770944 0.76 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL894405 0.74 CTSA (0.37) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL30301185 0.73 ALDH1A1 (0.38) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL20027998 0.73 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL12372972 0.73 TSHR (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL4990894 0.72 TSHR (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL18805347 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4432272 0.69 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL4990902 0.68 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2

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-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS NATIONAL SCIENCE FOUNDATION 2018-04-19 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-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS PTMS, TMT1A, PTMA CTSA 2443/4885ACHE 2997/4885ALDH1A1 2728/4885

“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.