SCHEMBL9875715

SCHEMBL9875715

O/N=C1\CC2CCC1CC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9875720 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17988284 0.85
SCHEMBL12765657 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11509377 0.71 GAA (0.39)
SCHEMBL18699383 0.66 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21375136 0.66 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13968156 0.65 LMNA (0.46)
SCHEMBL12765761 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13968186 0.65 LMNA (0.46)
SCHEMBL231364 0.60 CHRM1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390926-B2 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 ZACH SYSTEM (IT) 2008-06-24 US disclosed
US-7390926-B2 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 ZACH SYSTEM (IT) 2008-06-24 US disclosed
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 PPG-SIPSY (FR) 2007-09-27 US disclosed
US-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 PPG-SIPSY (FR) 2007-09-27 US disclosed
US-5043456-A 6-oxa and thiabicyclo [3.1.0.] compounds SHIONOGI & CO., LTD. (JP) 1991-08-27 US disclosed
EP-0226346-B1 BICYCLIC SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-08-14 EP disclosed
US-4976891-A Antithrombotic, antivasoconstricting, antibronchoconstricting SHIONOGI & CO., LTD. (JP) 1990-12-11 US disclosed
US-4960909-A ANTICOAGULANTS; VASODILATORS; BRONCHODILATOR AGENTS SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
US-4861913-A Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1989-08-29 US disclosed
EP-0226346-A1 Bicyclic sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1987-06-24 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-20070225516-A1 Process for the diastereoselective alkylation of an ether oxime of the compound nopinone and novel intermediates for the synthesis of diastereospecific 2-amino-nopinone derivatives substituted on carbon 3 NOP2, NOP10, NOP56 ALDH1A1 1471/4885

“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.