SCHEMBL18095072

SCHEMBL18095072

C=CCOCCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 6/20 0.46
MAPK1 P28482 4/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3935138 0.85 TDP1 (0.44) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL7486384 0.81 TDP1 (0.47) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL10850237 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL9518730 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5424436 0.78 TDP1 (0.42) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL11099599 0.77 TSHR (0.49) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL8331526 0.77 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL2203256 0.77 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL8329625 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL3817895 0.76 TSHR (0.42) L3MBTL1ALDH1A1LMNASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351591-B2 Polypeptides, peptides, and proteins functionalized by alkylation of thioether groups via ring-opening reactions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-16 US disclosed
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
WO-2016154120-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-29 WO 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-20180105553-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS PTMS, TMT1A, PTMA L3MBTL1 3228/4885ALDH1A1 2728/4885LMNA 4521/4885
US-10351591-B2 Polypeptides, peptides, and proteins functionalized by alkylation of thioether groups via ring-opening reactions PTMS, TMT1A, PTMA L3MBTL1 3228/4885ALDH1A1 2728/4885LMNA 4521/4885

“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.