SCHEMBL3948095

SCHEMBL3948095

CCOC(=O)C(C(C)C)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CPA1 P15085 1/20 0.33
MMP8 P22894 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL9075640 0.86 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10MAPTCRHBP
SCHEMBL9076416 0.80 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10MAPTCRHBP
SCHEMBL4047581 0.80 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10MAPTCRHBP
SCHEMBL29145008 0.78 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TDP1
SCHEMBL1009673 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10MAPTCRHBP
SCHEMBL10073238 0.77 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10MAPTCRHBP
SCHEMBL27911520 0.77 CPA1 (0.31) MAPTCRHBPCRHR2CPA1
SCHEMBL9416726 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MAPTCRHBP
SCHEMBL29145004 0.77 TSHR (0.37)
Potassium Ion SCHEMBL9416725 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105968-A Method for selectively synthesizing carboglycoside by using nitroalkane compound as sugar receptor 三峡大学 2023-11-24 CN claimed
CN-117105968-A Method for selectively synthesizing carboglycoside by using nitroalkane compound as sugar receptor 三峡大学 2023-11-24 CN disclosed
EP-3862354-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2021-08-11 EP disclosed
EP-2824105-B1 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2021-03-31 EP disclosed
EP-2824105-A1 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2015-01-14 EP disclosed
US-8530493-B2 Indolopyridines as Eg5 kinesin modulators 4SC AG (DE) 2013-09-10 US disclosed
US-20090246169-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS NYCOMED GMBH (DE) 2009-10-01 US disclosed
US-20090233902-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2009-09-17 US disclosed
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 EP disclosed
WO-2009024613-A1 TETRACYCLIC INDOLOPYRIDINES AS EG5 INHIBITORS 4SC AG (DE) 2009-02-26 WO disclosed
EP-1996592-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS Nycomed GmbH (DE) 2008-12-03 EP disclosed
EP-1994033-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2008-11-26 EP disclosed
WO-2007096393-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 WO disclosed
WO-2007096395-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 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-20090233902-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS KIF5A, KIF5C, KIF5B ALDH1A1 2483/4885LMNA 3053/4885HSD17B10 3171/4885
US-20090246169-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS KIF5A, KIF5C, KIF5B ALDH1A1 2483/4885LMNA 3053/4885HSD17B10 3171/4885

“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.