SCHEMBL615300

SCHEMBL615300

CCN(Cc1ccccc1)C(C)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
TSHR P16473 6/20 0.44
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 5/20 0.42
ADRA2B P18089 3/20 0.42
HTR2A P28223 3/20 0.42
KCNH2 Q12809 3/20 0.42
ADRA2C P18825 2/20 0.42
SLC6A2 P23975 2/20 0.42
ADRA1A P35348 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRA2A P08913 2/20 0.42
HRH1 P35367 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
ESR1 P03372 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL614957 0.84 BCHE (0.47) BCHETSHRMAPK1SIGMAR1ALDH1A1
SCHEMBL11682289 0.82 BCHE (0.49) BCHETSHRMAPK1SIGMAR1ALDH1A1
SCHEMBL9635933 0.81 BCHE (0.45) BCHETSHRMAPK1SIGMAR1ALDH1A1
SCHEMBL12124877 0.80 TSHR (0.50) BCHETSHRSIGMAR1ALDH1A1ADRA2B
SCHEMBL5902506 0.80 BCHE (0.44) BCHETSHRSIGMAR1ALDH1A1ADRA2B
SCHEMBL19479501 0.79 BCHE (0.52) BCHETSHRMAPK1SIGMAR1ALDH1A1
SCHEMBL11690049 0.77 TSHR (0.47) BCHETSHRSIGMAR1ALDH1A1ADRA2B
SCHEMBL1302289 0.77 TSHR (0.52) BCHETSHRSIGMAR1ALDH1A1ADRA2B
SCHEMBL615515 0.77 ADRA2B (0.58) TSHRSIGMAR1ALDH1A1ADRA2BHTR2A
SCHEMBL12126080 0.77 BCHE (0.54) BCHETSHRSIGMAR1ALDH1A1ADRA2B

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 3783/4885MAPK1 3286/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY BCHE 167/4885TSHR 3783/4885MAPK1 3286/4885

“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.