SCHEMBL3898656

SCHEMBL3898656

CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL107947 0.96 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
Water SCHEMBL11536125 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL1939142 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
Lithium SCHEMBL30686180 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL590 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL3889962 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL28815855 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL3898653 0.88 TSHR (0.31) ALDH1A1TSHRTDP1
Lithium Ion SCHEMBL11332262 0.88 TSHR (0.31) ALDH1A1TSHRTDP1
SCHEMBL9293250 0.88 TSHR (0.31) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546243-B1 METHOD FOR PREPARING ALISKIREN ZHEJIANG TIANYU PHARMACEUTICAL CO LTD (CN) 2015-01-07 EP disclosed
US-8664440-B2 Method for preparing aliskiren and its intermediates thereof ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD (CN) 2014-03-04 US disclosed
US-20130225841-A1 METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD. (CN) 2013-08-29 US disclosed
EP-2546243-A1 METHOD FOR PREPARING ALISKIREN AND INTERMEDIATE THEREOF Zhejiang Tianyu Pharmaceutical Co., Ltd (CN) 2013-01-16 EP disclosed
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5606078-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
US-4737496-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed
US-4595535-A Schizophrenia CIBA-GEIGY CORPORATION (US) 1986-06-17 US disclosed
US-4507311-A Imidazo[1,2-c][1,3]benzodiazepines CIBA-GEIGY CORPORATION (US) 1985-03-26 US disclosed
US-4460587-A ANTIPSYCHOTIC AGENTS, ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1984-07-17 US disclosed
EP-0081461-A2 Imidazobenzodiazepines, process for their preparation, pharmaceutical preparations containing these compounds and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-15 EP disclosed
US-3954811-A PROSTAGLANDIN INTERMEDIATES SUMITOMO CHEMICAL CO., LTD. (JA) 1976-05-04 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 (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-20130225841-A1 METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF FLI1, MLX, LMTK2 ALDH1A1 4186/4885TSHR 1471/4885TDP1 3676/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 ALDH1A1 276/4885TSHR 876/4885TDP1 821/4885

“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.