SCHEMBL4473488

SCHEMBL4473488

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SCN5A Q14524 1/20 0.51
SCN3A Q9NY46 1/20 0.51
MEN1 O00255 3/20 0.50
SCN4A P35499 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL11032344 1.00 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL3591879 1.00 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL11130621 0.95 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL11130618 0.95 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL20611377 0.93 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
Tetradecane SCHEMBL27504192 0.93 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL5233459 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL17069045 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL5233467 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10
SCHEMBL17401020 0.88 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2APOLBHSD17B10

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-112552211-B Leonurine derivative and application thereof in preparation of medicines for preventing or treating ischemic cerebrovascular diseases 青岛海合生物科技有限公司 2023-04-14 CN disclosed
CN-112552211-A Leonurine derivative and application thereof in preparation of medicines for preventing or treating ischemic cerebrovascular diseases 青岛海合生物科技有限公司 2021-03-26 CN disclosed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US disclosed
EP-2057147-A1 PYRIMIDINE DERIVATIVES Astra Zeneca AB (SE) 2009-05-13 EP disclosed
WO-2008032064-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 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 (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-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS SMN1; SMN2 2744/4885ALDH1A1 717/4885KMT2A 3141/4885

“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.