SCHEMBL188719

SCHEMBL188719

COCCCOc1cc(CC(CCl)C(C)C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.52

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
SCHEMBL29375920 1.00 REN (0.52) REN
SCHEMBL188718 1.00 REN (0.52) REN
SCHEMBL13995940 0.96 REN (0.48) REN
SCHEMBL13993323 0.91 REN (0.46) REN
SCHEMBL10119254 0.88 REN (0.52) REN
SCHEMBL8229073 0.88 REN (0.54) REN
SCHEMBL14476482 0.88 REN (0.54) REN
SCHEMBL10119597 0.87 REN (0.50) REN
SCHEMBL220327 0.87 REN (0.55) REN
SCHEMBL8228765 0.87 REN (0.52) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013836-B1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED PATHEON AUSTRIA GMBH & CO KG (AT) 2018-06-20 EP disclosed
US-9550797-B2 Preparation of Grignard reagents using a fluidized bed PATHEON HOLDINGS I B.V. (NL) 2017-01-24 US disclosed
EP-2313386-B1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2012-01-04 EP disclosed
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 disclosed
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
CN-102164903-A Synthesis routes to 2(S),4(S),5(S),7(S)-2,7-dialkyl-4-hydroxy-5-amino-8-aryl-octanoyl amides DSM IP ASSETS BV 2011-08-24 CN disclosed
EP-2313386-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP Assets B.V. (NL) 2011-04-27 EP disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 WO disclosed
US-20080306311-A1 Method for Producing an Alpha-Chiral Chloromethyl Compound in a Pure Form BASF SE (DE) 2008-12-11 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-20080306311-A1 Method for Producing an Alpha-Chiral Chloromethyl Compound in a Pure Form B2M, TPMT, MCCC2 REN 91/4885
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES KHK, AGTR2, HK2 REN 206/4885

“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.