SCHEMBL811494

SCHEMBL811494

COCCCOc1cc(C[C@@H](C(=O)O)C(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
REN P00797 18/20 0.54
PPARA Q07869 1/20 0.51

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
SCHEMBL2137730 1.00 LDHA (0.55) LDHARENPPARA
SCHEMBL2140294 1.00 LDHA (0.55) LDHARENPPARA
SCHEMBL14788425 0.90 PPARG (0.49) RENPPARA
SCHEMBL14778723 0.89 PPARD (0.53) LDHARENPPARA
SCHEMBL15184372 0.89 REN (0.55) REN
SCHEMBL14778721 0.89 REN (0.55) REN
SCHEMBL14777725 0.87 LDHA (0.49) LDHARENPPARA
SCHEMBL14777723 0.87 REN (0.53) REN
SCHEMBL4456020 0.86 REN (0.54) REN
SCHEMBL4456027 0.86 REN (0.54) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US claimed
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO claimed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
US-9346745-B2 Process for producing Aliskiren CHEMO IBERICA, S.A. (ES) 2016-05-24 US disclosed
EP-2275398-B1 APPLICATION OF AN IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION OF AN UNSATURATED CARBOXYLIC ACID ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-04 EP disclosed
US-9079839-B2 Methods for preparation of pharmaceutical intermediates of aliskiren CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2015-07-14 US disclosed
US-9079839-B2 Methods for preparation of pharmaceutical intermediates of aliskiren CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2015-07-14 US disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 US disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 US disclosed
US-20130231509-A1 METHODS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES OF ALISKIREN CHANGZHOU PHARMACEUTICAL FACTORY (CN) 2013-09-05 US disclosed
WO-2006075166-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD. (GB) 2006-07-20 WO disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 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-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US 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-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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-20130231509-A1 METHODS FOR PREPARATION OF PHARMACEUTICAL INTERMEDIATES OF ALISKIREN VRK2, VRK1, LPXN LDHA 1570/4885REN 113/4885PPARA 2532/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 LDHA 2203/4885REN 970/4885PPARA 378/4885

“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.