SCHEMBL2069032

SCHEMBL2069032

CCOC(=O)C/N=C(\C)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 1/20 0.35
GLO1 Q04760 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL2069035 1.00 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24999670 0.87 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28653935 0.87 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21342973 0.87 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15496396 0.84 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29210122 0.82 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29210123 0.82 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
Potassium Ion SCHEMBL11280017 0.78 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
Potassium Ion SCHEMBL11280014 0.78 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9714131 0.77 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132375-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1985-01-30 EP claimed
US-7906546-B2 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-15 US disclosed
US-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES DEHMLOW HENRIETTA 2010-08-26 US disclosed
EP-1732892-B1 TETRAHYDROCARBAZOLES AND DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-09-17 EP disclosed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092856-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215577-A1 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. 2005-09-29 US disclosed
US-4568677-A CONTROLLED COOLING PFIZER INC. (US) 1986-02-04 US disclosed
EP-0132375-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1985-01-30 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 (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-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES NR1H3, NR1H2, NR1H4 GAA 3456/4885MGAM 4121/4885SI 297/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 GAA 3456/4885MGAM 4121/4885SI 297/4885

“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.