SCHEMBL16077036

SCHEMBL16077036

CCC#CC[C@H](C)C(=O)/C(Br)=C/[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1OC(=O)c1ccccc1)OCC(C)(C)CO3

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 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
SCHEMBL16072775 1.00 BCHE (0.31) BCHE
SCHEMBL9786420 0.93 BCHE (0.33) BCHE
SCHEMBL9786407 0.93 BCHE (0.33) BCHE
SCHEMBL9786417 0.93 BCHE (0.33) BCHE
SCHEMBL9731529 0.93 BCHE (0.33) BCHE
SCHEMBL9786406 0.93 BCHE (0.33) BCHE
SCHEMBL9731526 0.93 BCHE (0.33) BCHE
SCHEMBL16077032 0.87 BCHE (0.31) BCHE
SCHEMBL16077037 0.87 BCHE (0.31) BCHE
SCHEMBL16072776 0.87 BCHE (0.31) BCHE

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-9345678-B2 Prostanoid receptor agonist compounds and methods of use for same ALLERGAN, INC. (US) 2016-05-24 — — US disclosed
WO-2014164886-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND THEIR USE ALLERGAN, INC. (US) 2014-10-09 — — WO disclosed
US-20140275266-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND METHODS OF USE FOR SAME ALLERGAN, INC. (US) 2014-09-18 — — 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-20140275266-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND METHODS OF USE FOR SAME PTGIR, PTGER1, PTGDR BCHE 1617/4885

“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.

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