SCHEMBL2441571

SCHEMBL2441571

CC1(C)COB(c2ccc(C=O)cc2)OC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
CYP2A6 P11509 4/20 0.38
ALDH1A1 P00352 10/20 0.34
TYR P14679 1/20 0.34
CYP2A13 Q16696 1/20 0.34
HSD17B10 Q99714 2/20 0.33
P4HB P07237 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
ALDH1A3 P47895 2/20 0.32
ALDH3A1 P30838 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3709305 0.91 SNCA (0.34) SNCACYP2A6
SCHEMBL4264297 0.84 SNCA (0.44) SNCA
SCHEMBL28484974 0.83 CYP2A6 (0.35) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL17940978 0.82 ALDH1A1 (0.39) SNCAALDH1A1P4HBTDP1
SCHEMBL6259290 0.79 ALDH1A1 (0.40) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL4257326 0.79 SNCA (0.48) SNCA
SCHEMBL12370809 0.77 SNCA (0.41) SNCATDP1
SCHEMBL13188128 0.77 SNCA (0.40) SNCA
SCHEMBL16399033 0.76 ALDH1A1 (0.39) CYP2A6ALDH1A1HSD17B10ALDH1A3KDM4E
SCHEMBL18002123 0.76 SNCA (0.30) SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
EP-2260018-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-15 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-7632954-B2 Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-15 US disclosed
WO-2009125416-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-15 WO disclosed
US-20090124577-A1 Intermediate Compounds for the Preparation of an Angiotensin II Receptor Antagonist ENANTIA SI 2009-05-14 US disclosed
EP-1838681-A2 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF AN ANGIOTENSIN II RECEPTOR AND PROCESS FOR THE PREPARATION OF VALSARTAN Enantia, S.L. (ES) 2007-10-03 EP disclosed
US-20070191455-A1 Substituted sym-triindole IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-16 US disclosed
WO-2007071750-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF VALSARTAN ENANTIA, S.L. (ES) 2007-06-28 WO disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 US disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 US disclosed
WO-2006067216-A2 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF AN ANGIOTENSIN II RECEPTOR AND PROCESS FOR THE PREPARATION OF VALSARTAN ENANTIA, S. L. (ES) 2006-06-29 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 (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-20090124577-A1 Intermediate Compounds for the Preparation of an Angiotensin II Receptor Antagonist AGTR2, AGTR1, ACE SNCA 3613/4885CYP2A6 228/4885ALDH1A1 1491/4885
US-20070112008-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A SNCA 3426/4885CYP2A6 1128/4885ALDH1A1 1074/4885
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE REN, AGT, ACE SNCA 2333/4885CYP2A6 72/4885ALDH1A1 1185/4885
US-20070191455-A1 Substituted sym-triindole RTF1, ETF1, RTF2 SNCA 2272/4885CYP2A6 4353/4885ALDH1A1 1091/4885

“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.