SCHEMBL15470962

SCHEMBL15470962

CC(C)OC(=O)C(C(=O)OC(C)C)=C1c2ccccc2Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.50
PDE4D Q08499 2/20 0.46
ADRA1A P35348 1/20 0.46
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.37
OPRK1 P41145 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2A P28223 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
SCHEMBL4799535 0.84 ADRA1A (0.48) BCHEPDE4DADRA1AGAASMN1; SMN2
SCHEMBL15470961 0.81 BCHE (0.46) BCHEPDE4DGAASMN1; SMN2PTGS2
SCHEMBL25058860 0.74 BCHE (0.41) BCHEPDE4DGAASMN1; SMN2PTGS2
SCHEMBL25058854 0.73 BCHE (0.44) BCHEALDH1A1NOX1KDM4EGPR84
SCHEMBL15470902 0.72 TSHR (0.40) BCHEPDE4DGAATSHRPTGS2
SCHEMBL21908167 0.71 BCHE (0.44) BCHEGAASMN1; SMN2ALDH1A1NOX1
SCHEMBL25058846 0.71 BCHE (0.40) BCHEPDE4DGAASMN1; SMN2NPC1
SCHEMBL21908162 0.70 NPC1 (0.45) BCHEPDE4DADRA1AGAASMN1; SMN2
SCHEMBL27114262 0.69 NOX1 (0.42) BCHEADRA1AGAASMN1; SMN2PTGS2
SCHEMBL23209617 0.69 BCHE (0.36) BCHEGAASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926289-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-03-27 US disclosed
US-9926289-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-03-27 US disclosed
US-9765051-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2017-09-19 US disclosed
US-9765051-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2017-09-19 US disclosed
US-9650356-B2 2017-05-16 US disclosed
US-9650356-B2 2017-05-16 US disclosed
US-9611246-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2017-04-04 US disclosed
US-9611246-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2017-04-04 US disclosed
US-20160024046-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2016-01-28 US disclosed
US-20160024046-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2016-01-28 US disclosed
US-20160022555-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2016-01-28 US disclosed
US-20160022555-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2016-01-28 US disclosed
US-20160002200-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2016-01-07 US disclosed
US-20160002200-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2016-01-07 US disclosed
US-9145383-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2015-09-29 US disclosed
US-9145383-B2 Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP. (US) 2015-09-29 US disclosed
US-20140044654-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES HALLSTAR INNOVATIONS CORP. (US) 2014-02-13 US disclosed
US-20140044654-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES HALLSTAR INNOVATIONS CORP. (US) 2014-02-13 US disclosed
WO-2014026151-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES HALLSTAR INNOVATIONS CORP. (US) 2014-02-13 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-20160024046-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES RECQL, BLM, WRN BCHE 1980/4885PDE4D 4508/4885ADRA1A 4316/4885
US-20160002200-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES RECQL, BLM, WRN BCHE 1980/4885PDE4D 4508/4885ADRA1A 4316/4885
US-20140044654-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES RECQL, BLM, WRN BCHE 1980/4885PDE4D 4508/4885ADRA1A 4316/4885
US-20160022555-A1 COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES RECQL, BLM, WRN BCHE 1980/4885PDE4D 4508/4885ADRA1A 4316/4885

“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.