SCHEMBL7250758

SCHEMBL7250758

CC(C)(C)OC(=O)N(CCN1CCCCC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.58
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 3/20 0.44
EGFR P00533 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
CTSL P07711 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7244646 0.84 NPC1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30945299 0.80 L3MBTL1 (0.69) L3MBTL1
SCHEMBL8300753 0.80 L3MBTL1 (0.69) L3MBTL1NPSR1
SCHEMBL21621418 0.79 L3MBTL1 (0.67) L3MBTL1ALDH1A1NPSR1
SCHEMBL6629239 0.78 L3MBTL1 (0.73) L3MBTL1
SCHEMBL12643699 0.77 L3MBTL1 (0.64) L3MBTL1ALDH1A1
SCHEMBL13823926 0.77 L3MBTL1 (0.72) L3MBTL1
SCHEMBL8899583 0.77 L3MBTL1 (0.76) L3MBTL1
SCHEMBL5713023 0.76 L3MBTL1 (0.63) L3MBTL1NPSR1
SCHEMBL9781776 0.76 L3MBTL1 (0.78) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030009030-A1 Novel selective deacetylating agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-09 US disclosed
EP-1245550-A1 NOVEL SELECTIVE DEACETYLATING AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP 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-20030009030-A1 Novel selective deacetylating agents HDAC1, HDAC11, HDAC3 L3MBTL1 2745/4885NPC1 877/4885RAB9A 1741/4885

“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.