SCHEMBL12039780

SCHEMBL12039780

CC(C)CCN(CCC(C)C)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL21184295 0.90 ALDH1A1 (0.46) ALDH1A1
SCHEMBL13844236 0.87 ALDH1A1 (0.48) ALDH1A1
SCHEMBL19364102 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL20438370 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL19363802 0.84 PIK3CD (0.47) ALDH1A1
SCHEMBL19363984 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL21423368 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7940758 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL14962048 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19364070 0.73 ALDH1A1 (0.37) ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10563195-B2 Phosphate replacement mRNA cap analogs MODERNATX, INC. (US) 2020-02-18 US disclosed
US-10428106-B2 Phosphate replacement mRNA cap analogs MODERNATX, INC. (US) 2019-10-01 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 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 (4 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-10428106-B2 Phosphate replacement mRNA cap analogs RNGTT, RNMT, CPSF6 ALDH1A1 4428/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 ALDH1A1 1721/4885
US-10563195-B2 Phosphate replacement mRNA cap analogs RNGTT, RNMT, CPSF6 ALDH1A1 4436/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885

“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.