SCHEMBL19930276

SCHEMBL19930276

CC(C)CCNC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BLM P54132 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ANPEP P15144 3/20 0.37
RNPEP Q9H4A4 3/20 0.37
DNPEP Q9ULA0 2/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.36
MME P08473 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL14930545 1.00 ALDH1A1 (0.46) ALDH1A1THRBTSHRHSD17B10BLM
SCHEMBL28791290 0.86 BLM (0.45) ALDH1A1THRBTSHRHSD17B10BLM
SCHEMBL11932566 0.86 BLM (0.45) ALDH1A1THRBTSHRHSD17B10BLM
SCHEMBL20677353 0.85 TSHR (0.40) ALDH1A1THRBTSHRHSD17B10RNPEP
SCHEMBL14037307 0.85 TSHR (0.40) ALDH1A1THRBTSHRHSD17B10RNPEP
SCHEMBL11762930 0.83 BLM (0.42) ALDH1A1THRBTSHRHSD17B10BLM
SCHEMBL7935227 0.83 BLM (0.42) ALDH1A1THRBTSHRHSD17B10BLM
SCHEMBL19930273 0.81 RAB9A (0.39) ALDH1A1THRBTSHRHSD17B10RAB9A
SCHEMBL23748061 0.80 GABRR1 (0.40) ALDH1A1THRBTSHRHSD17B10BLM
SCHEMBL15694717 0.80 ACE2 (0.39) ALDH1A1THRBTSHRHSD17B10BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117440838-A Compositions comprising crosslinked hyaluronic acid and methods of use thereof 哈鲁拉公司 2024-01-23 CN disclosed
CN-114644651-A Process for producing aryloxyphosphorylated amino acid ester compound 中国人民解放军军事科学院军事医学研究院 2022-06-21 CN disclosed
US-10640528-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HAVARD COLLEGE (US) 2020-05-05 US disclosed
US-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-08 US disclosed
US-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-08 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-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF FUT6, MGAM, B3GNT2 ALDH1A1 3204/4885THRB 2633/4885TSHR 3186/4885
US-10640528-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, MGAM, B3GNT2 ALDH1A1 3204/4885THRB 2633/4885TSHR 3186/4885

“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.