SCHEMBL5852885

SCHEMBL5852885

N#CC1OC12CCCCC2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL19328576 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19328589 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL978499 0.97
SCHEMBL2795229 0.61
SCHEMBL10181333 0.61
SCHEMBL16647405 0.58
SCHEMBL5855200 0.58
SCHEMBL13741815 0.56 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13742501 0.56 ALDH1A1 (0.35) ALDH1A1
SCHEMBL647392 0.54 ALDH1A1 (0.50) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 US disclosed
US-7022503-B2 Process for the stereoselective preparation of functionalized vicinal diols BAYER AKTIENGESELLSCHAFT (DE) 2006-04-04 US disclosed
US-20030134401-A1 Process for the stereoselective preparation of functionalized vicinal diols LANXESS DEUTSCHLAND GMBH (DE) 2003-07-17 US disclosed
EP-1291436-A1 Process for the stereoselective preparation of functionalized vicinal diols BAYER AG (DE) 2003-03-12 EP disclosed
EP-0207600-B1 PHENOXYETHYLAMINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-29 EP disclosed
US-4880894-A Quaternary ammonium salts used as phase transfer catalyst ALTER, S.A. (ES) 1989-11-14 US disclosed
EP-0207600-A2 Phenoxyethylamine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1987-01-07 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-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CYP8B1, HSD3B1, HSD17B1 ALDH1A1 21/4885

“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.