SCHEMBL2582243

SCHEMBL2582243

NCC(CN)(CN)CCCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ARG2 P78540 1/20 0.30

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
SCHEMBL394632 0.94 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL1012045 0.79 SMN1; SMN2 (0.41) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL1352707 0.79 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL6472790 0.79 TSHR (0.39) ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL15800756 0.75 ALDH1A1 (0.35) ALDH1A1TSHRARG2
SCHEMBL31040516 0.73 LMNA (0.42) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL31040519 0.73 LMNA (0.42) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL1352447 0.73 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL15694681 0.73 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL3871791 0.73 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016865-B2 Methods and pharmaceutical compositions for treating candida auris in blood CORMEDIX INC. (US) 2024-06-25 US disclosed
EP-3313857-B1 POLYMER-CYCLODEXTRIN-LIPID CONJUGATES WU NIAN (US) 2021-01-06 EP disclosed
US-10835608-B2 Polymer-carbohydrate conjugates for drug delivery technology LIPOSEUTICALS INC 2020-11-17 US disclosed
EP-3727393-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING CANDIDA AURIS IN BLOOD CorMedix Inc. (US) 2020-10-28 EP disclosed
EP-3077006-B1 POLYMER-CARBOHYDRATE CONJUGATES FOR DRUG DELIVERY TECHNOLOGY WU NIAN (US) 2020-08-19 EP disclosed
US-20190192529-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING CANDIDA AURIS IN BLOOD CORMEDIX INC. 2019-06-27 US disclosed
US-10064954-B2 Polymer-cyclodextrin-lipid conjugates LIPOSEUTICALS INC 2018-09-04 US disclosed
EP-2673000-B1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2018-05-16 EP disclosed
EP-3313857-A1 POLYMER-CYCLODEXTRIN-LIPID CONJUGATES Wu, Nian (US) 2018-05-02 EP disclosed
US-20160375150-A1 POLYMER-CYCLODEXTRIN-LIPID CONJUGATES LIPOSEUTICALS INC 2016-12-29 US disclosed
EP-2673000-A2 POLYMER-CARBOHYDRATE-LIPID CONJUGATES Wu, Nian (US) 2013-12-18 EP disclosed
WO-2013003306-A1 PHARMACEUTICAL COMPOSITIONS FOR PARENTERAL ADMINISTRATION WU NIAN (US) 2013-01-03 WO disclosed
US-20130004592-A1 PHARMACEUTICAL COMPOSITIONS FOR PARENTERAL ADMINISTRATION LIPOSEUTICALS, INC. 2013-01-03 US disclosed
US-8304565-B2 PEG-lipid conjugates for liposomes and drug delivery BIOZONE LABORATORIES INC. 2012-11-06 US disclosed
WO-2012109112-A2 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2012-08-16 WO disclosed
WO-2012109052-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2012-08-16 WO disclosed
US-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPOSEUTICALS, INC. 2012-08-09 US disclosed
US-20120202890-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2012-08-09 US disclosed
WO-2011139343-A2 AMINO ACID LINKED PEG-LIPID CONJUGATES WU NIAN (US) 2011-11-10 WO disclosed
US-20100076209-A1 PEG-lipid conjugates for liposomes and drug delivery BIOZONE LABORATORIES INC. 2010-03-25 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 (7 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-20100076209-A1 PEG-lipid conjugates for liposomes and drug delivery DAGLA, DAGLB, DGKG ALDH1A1 2787/4885TSHR 2520/4885SMN1; SMN2 4412/4885
US-10835608-B2 Polymer-carbohydrate conjugates for drug delivery technology LIPC, FABP4, CETP ALDH1A1 2457/4885TSHR 2812/4885SMN1; SMN2 3875/4885
US-20130004592-A1 PHARMACEUTICAL COMPOSITIONS FOR PARENTERAL ADMINISTRATION LIPC, CETP, UGCG ALDH1A1 2204/4885TSHR 4218/4885SMN1; SMN2 2315/4885
US-10064954-B2 Polymer-cyclodextrin-lipid conjugates CETP, FABP4, PLIN3 ALDH1A1 1058/4885TSHR 3583/4885SMN1; SMN2 4405/4885
US-20120202890-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPC, FUT6, UGCG ALDH1A1 873/4885TSHR 3962/4885SMN1; SMN2 4271/4885
US-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPC, FUT6, UGCG ALDH1A1 873/4885TSHR 3962/4885SMN1; SMN2 4271/4885
US-20160375150-A1 POLYMER-CYCLODEXTRIN-LIPID CONJUGATES CETP, FADS2, FABP4 ALDH1A1 1355/4885TSHR 3545/4885SMN1; SMN2 4002/4885

“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.