SCHEMBL1670116

SCHEMBL1670116

COC(C)(C)CCOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCHR1 Q99705 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
SCHEMBL24338980 0.82 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL17663674 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MCHR1
SCHEMBL17664767 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL21154354 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MCHR1
SCHEMBL18505841 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL13467249 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL17663676 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL18389109 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1
SCHEMBL12154838 0.78
SCHEMBL19003665 0.77 ALDH1A1 (0.36) ALDH1A1TSHRTDP1MCHR1

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-2710063-B1 PLASTICIZERS FOR POLYALKYLENE CABONATE RESIN COMPOSITIONS AND RESIN COMPOSITIONS INCLUDING THE SAME SK INNOVATION CO LTD (KR) 2017-07-12 EP disclosed
EP-2950380-B1 ELECTROLYTE FOR LITHIUM AIR BATTERY AND LITHIUM AIR BATTERY INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-04-12 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed
US-8834743-B2 Dicarboxylate gemini surfactant that forms a lyotropic liquid crystal WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-8293276-B2 Drug loaded polymeric nanoparticles and methods of making and using same BIND BIOSCIENCES, INC. (US) 2012-10-23 US disclosed
US-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-12 US disclosed
US-20110274759-A1 Drug Loaded Polymeric Nanoparticles and Methods of Making and Using Same PFIZER INC. 2011-11-10 US disclosed
US-20110172440-A1 ROSIN DERIVED EPOXIDES AND CURING AGENTS ZHANG JINWEN 2011-07-14 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-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS NGLY1, LNPEP, NPPA ALDH1A1 4856/4885TSHR 3552/4885TDP1 4645/4885
US-20110274759-A1 Drug Loaded Polymeric Nanoparticles and Methods of Making and Using Same LDHA, LDHB, LPXN ALDH1A1 410/4885TSHR 4622/4885TDP1 691/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 ALDH1A1 132/4885TSHR 351/4885TDP1 515/4885
US-20110172440-A1 ROSIN DERIVED EPOXIDES AND CURING AGENTS EPHX1, EPHX2, RCOR1 ALDH1A1 70/4885TSHR 4818/4885TDP1 3299/4885

“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.