SCHEMBL110822

SCHEMBL110822

CC(C)CN(CC(C)C)C(CO)(CO)CO

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TSHR P16473 1/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 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
SCHEMBL14660624 0.81 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL26138033 0.75 ALDH1A1 (0.83) ALDH1A1
SCHEMBL26138037 0.74 ALDH1A1 (0.87) ALDH1A1
SCHEMBL14660928 0.72 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14663237 0.70 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL7962416 0.70 ALDH1A1 (0.39) ALDH1A1TSHRCA12CA1CA2
SCHEMBL7940758 0.67 ALDH1A1 (0.35) ALDH1A1CA12CA1CA2CA9
SCHEMBL110016 0.67 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL7927801 0.67 ALDH1A1 (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4031294 0.65 CA12 (0.41) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925814-B1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS ANGUS CHEMICAL (US) 2016-12-28 EP claimed
US-20150344707-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY 2015-12-03 US claimed
EP-2925814-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS ANGUS Chemical Company (US) 2015-10-07 EP claimed
WO-2014085010-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-05 WO claimed
EP-2424924-B1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL (US) 2014-04-23 EP claimed
US-8293002-B2 Tertiary aminoalcohols as low VOC additives for paints and coatings ANGUS CHEMICAL COMPANY 2012-10-23 US claimed
EP-2424924-A1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2012-03-07 EP claimed
WO-2010126657-A1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2010-11-04 WO claimed
US-20100275816-A1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ADVANCION CORPORATION 2010-11-04 US claimed
EP-2925814-B1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS ANGUS CHEMICAL (US) 2016-12-28 EP disclosed
US-20150344707-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY 2015-12-03 US disclosed
EP-2925814-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS ANGUS Chemical Company (US) 2015-10-07 EP disclosed
WO-2014085010-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-05 WO disclosed
EP-2424924-B1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL (US) 2014-04-23 EP disclosed
US-8293002-B2 Tertiary aminoalcohols as low VOC additives for paints and coatings ANGUS CHEMICAL COMPANY 2012-10-23 US disclosed
EP-2424924-A1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2012-03-07 EP disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
WO-2010126657-A1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2010-11-04 WO disclosed
US-20100275816-A1 TERTIARY AMINOALCOHOLS AS LOW VOC ADDITIVES FOR PAINTS AND COATINGS ADVANCION CORPORATION 2010-11-04 US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ALDH1A1 4135/4885TSHR 4310/4885CA12 1956/4885
US-20150344707-A1 AMINOALCOHOL COMPOUNDS AS LOW VOC FREE-THAW STABILIZERS FOR PAINTS AND COATINGS BCAT1, TRPA1, BCAT2 ALDH1A1 169/4885TSHR 4792/4885CA12 2416/4885

“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.