SCHEMBL227612

SCHEMBL227612

CC(C)(C)N(C(=O)O)C(C)(C)COc1ccc(C#N)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.40
SLC6A9 P48067 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
SSTR4 P31391 2/20 0.38
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
MRGPRX4 Q96LA9 2/20 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
SCHEMBL228997 0.82 AR (0.46) ARPTGDR2CYP11B1CYP11B2SLC6A9
SCHEMBL227546 0.81 ALDH1A1 (0.46) AR
SCHEMBL223575 0.80 ALDH1A1 (0.42)
SCHEMBL4420461 0.78 SSTR4 (0.53) ARPTGDR2CYP11B1CYP11B2SLC6A9
SCHEMBL27112675 0.78 AR (0.48) ARPTGDR2CYP11B1CYP11B2SLC6A9
SCHEMBL225575 0.75 AR (0.47) ARPTGDR2CYP11B1CYP11B2SLC6A9
SCHEMBL2771927 0.74 PTGDR2 (0.63) PTGDR2USP30
SCHEMBL9677946 0.73 SLC6A9 (0.46) ARPTGDR2CYP11B1CYP11B2SLC6A9
SCHEMBL15954492 0.71 MRGPRX4 (0.34) ARSSTR4MRGPRX4
SCHEMBL20450064 0.71 AAK1 (0.49) ARPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 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 (1 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 AR 9/4885PTGDR2 497/4885CYP11B1 214/4885

“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.