SCHEMBL614957

SCHEMBL614957

CCOC(C)N(CC)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
TSHR P16473 5/20 0.43
ALDH1A1 P00352 5/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
ESR1 P03372 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL615300 0.84 BCHE (0.48) BCHETSHRALDH1A1SIGMAR1MEN1
SCHEMBL11682289 0.81 BCHE (0.49) BCHETSHRALDH1A1SIGMAR1MEN1
SCHEMBL616041 0.80 ADRA2B (0.55) TSHRALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL9635933 0.79 BCHE (0.45) BCHETSHRALDH1A1SIGMAR1MEN1
SCHEMBL12124877 0.79 TSHR (0.50) BCHETSHRALDH1A1SIGMAR1MEN1
SCHEMBL5902506 0.78 BCHE (0.44) BCHETSHRALDH1A1SIGMAR1MEN1
SCHEMBL8614055 0.78 BCHE (0.46) BCHETSHRALDH1A1MEN1KMT2A
SCHEMBL9816880 0.76 BCHE (0.51) BCHETSHRALDH1A1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL9057851 0.76 BCHE (0.44) BCHETSHRALDH1A1MEN1KMT2A
SCHEMBL9816883 0.76 BCHE (0.51) BCHETSHRALDH1A1SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 EP 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY BCHE 167/4885TSHR 3783/4885ALDH1A1 1539/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY BCHE 167/4885TSHR 3783/4885ALDH1A1 1539/4885

“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.