SCHEMBL4043457

SCHEMBL4043457

CC(C)CO[Al+]OCC(C)C.[H-]

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL11354278 0.93 ALDH1A1 (0.35) ALDH1A1
SCHEMBL24856 0.62
SCHEMBL35239 0.62 ALDH1A1 (0.42) ALDH1A1
SCHEMBL432519 0.62 ALDH1A1 (0.36) ALDH1A1
SCHEMBL31512472 0.62 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1160768 0.60
SCHEMBL15400759 0.60 ALDH1A1 (0.40) ALDH1A1
Water SCHEMBL20597605 0.60 ALDH1A1 (0.40) ALDH1A1
Phosphine SCHEMBL21380516 0.60 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10703282 0.60 ALDH1A1 (0.40) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880295-A Process for the preparation of diamine intermediates useful in the synthesis of HIV protease inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-09 US claimed
EP-1558603-B1 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS INSIGHT EQUITY A P X LP (US) 2015-07-22 EP disclosed
EP-2578589-A1 Oxygen-containing heterocyclic fused naphthopyrans having photochromic properties Insight Equity A.P.X., LP (US) 2013-04-10 EP disclosed
EP-1558603-A4 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS INSIGHT EQUITY A P X LP (US) 2009-03-18 EP disclosed
US-7074943-B2 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS (US) 2006-07-11 US disclosed
US-20060030673-A1 Oxygen-containing heterocyclic fused naphthopyrans HOYA OPTICAL LABS OF AMERICA, INC. 2006-02-09 US disclosed
US-6963003-B2 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LANE (US) 2005-11-08 US disclosed
EP-1558603-A2 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS Vision-Ease Lens, Inc. (US) 2005-08-03 EP disclosed
US-20040215024-A1 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS, INC. 2004-10-28 US disclosed
WO-2004047674-A2 OXYGE-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2004-06-10 WO disclosed
US-6608215-B2 Photochromic ophthalmic or sun protection lenses, glass paneling VISION-EASE LENS, INC. 2003-08-19 US disclosed
US-20030092918-A1 Oxygen-containing heterocyclic fused naphthopyrans VISION-EASE LENS, INC. 2003-05-15 US disclosed
WO-2003025638-A1 OXYGEN-CONTAINING HETEROCYCLIC FUSED NAPHTHOPYRANS VISION-EASE LENS, INC. (US) 2003-03-27 WO disclosed
US-5880295-A Process for the preparation of diamine intermediates useful in the synthesis of HIV protease inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-09 US disclosed
US-5559252-A Process for the preparation of diamine intermediates useful in the synthesis of HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US disclosed
US-4155918-A Novel D-homosteroids HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US 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 (3 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-20030092918-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 ALDH1A1 202/4885
US-20060030673-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 ALDH1A1 176/4885
US-20040215024-A1 Oxygen-containing heterocyclic fused naphthopyrans NQO1, NFE2L2, NDUFV2 ALDH1A1 163/4885

“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.