SCHEMBL9978447

SCHEMBL9978447

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

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.56

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
SCHEMBL9978449 1.00 REN (0.56) REN
SCHEMBL9978743 1.00 REN (0.56) REN
SCHEMBL9978492 0.92 REN (0.54) REN
SCHEMBL9978494 0.92 REN (0.54) REN
SCHEMBL9978382 0.92 REN (0.58) REN
SCHEMBL4456027 0.92 REN (0.54) REN
SCHEMBL4456020 0.92 REN (0.54) REN
SCHEMBL9978360 0.92 REN (0.54) REN
SCHEMBL9978514 0.92 REN (0.54) REN
SCHEMBL2431429 0.89 REN (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-9550797-B2 Preparation of Grignard reagents using a fluidized bed PATHEON HOLDINGS I B.V. (NL) 2017-01-24 US disclosed
US-20160137669-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED PATHEON HOLDINGS I B.V. (NL) 2016-05-19 US disclosed
US-20160137669-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED PATHEON HOLDINGS I B.V. (NL) 2016-05-19 US disclosed
WO-2014207206-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED DPX HOLDINGS B.V. (NL) 2014-12-31 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160137669-A1 PREPARATION OF GRIGNARD REAGENTS USING A FLUIDIZED BED GRM4, GRIA4, GRM2 REN 527/4885

“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.