SCHEMBL840500

SCHEMBL840500

CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL840499 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL235785 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDKMT2A
SCHEMBL9054019 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDKMT2A
SCHEMBL27679077 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HPGDKMT2A
Ammonia Solution, Strong SCHEMBL27560423 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HPGDKMT2A
SCHEMBL335361 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL23727368 0.81 MAPT (0.35) ALDH1A1LMNAHPGDMAPTRAB9A
SCHEMBL13269391 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDKMT2A
SCHEMBL10804777 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL857612 0.80 SMN1; SMN2 (0.45) ALDH1A1LMNAHSD17B10HPGDALOX15

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
US-8143416-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 US disclosed
EP-1789377-B1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2010-10-20 EP disclosed
EP-1978012-A1 Alternative synthesis of renin inhibitors and intermediates thereof Novartis AG (CH) 2008-10-08 EP disclosed
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1789377-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF Novartis AG (CH) 2007-05-30 EP disclosed
WO-2006024501-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2006-03-09 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 (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-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT ALDH1A1 934/4885LMNA 584/4885HSD17B10 432/4885
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT ALDH1A1 954/4885LMNA 577/4885HSD17B10 446/4885

“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.