SCHEMBL16077039

SCHEMBL16077039

CC1(C)COC2(C[C@H]3C[C@@H](OC(=O)c4ccccc4)[C@H](C=O)[C@H]3C2)OC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ABCB1 P08183 3/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 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
SCHEMBL16072779 1.00 GAA (0.39) GAATSHRABCB1KMT2ACHRM2
SCHEMBL9687625 0.89 GAA (0.37) GAATSHRCHRM2CHRM4CHRM1
SCHEMBL16077026 0.87 RAB9A (0.46) GAATSHRABCB1KMT2ACHRM2
SCHEMBL16155139 0.87 RAB9A (0.46) GAATSHRABCB1KMT2ACHRM2
SCHEMBL16072769 0.87 RAB9A (0.46) GAATSHRABCB1KMT2ACHRM2
SCHEMBL1584062 0.79 GAA (0.52) GAATSHRKMT2AAPOBEC3AAPOBEC3G
SCHEMBL16077036 0.77 BCHE (0.31) BCHE
SCHEMBL10729081 0.77 RAB9A (0.48) GAATSHRABCB1KMT2ACHRM2
SCHEMBL16077037 0.77 BCHE (0.31) BCHE
SCHEMBL16077032 0.77 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 GAA 3940/4885TSHR 879/4885ABCB1 3165/4885

“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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