SCHEMBL3798817

SCHEMBL3798817

CCOC(=O)CCc1cc(F)c(F)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.48
▸ APP P05067 1/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ AKR1C3 P42330 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 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
SCHEMBL22070521 0.87 FFAR1 (0.46) FFAR4APPTDP1CYP4F2CYP4A11
SCHEMBL2349977 0.83 PTGER1 (0.47) FFAR4ABCB1AKR1C3CYP4F2CYP4A11
SCHEMBL8890494 0.81 APP (0.61) FFAR4APPAKR1C3FFAR1MRGPRX4
SCHEMBL6034704 0.81 FFAR4 (0.56) FFAR4APPALOX5ABCB1AKR1C3
SCHEMBL2350411 0.80 FFAR1 (0.53) FFAR4APPALOX5AKR1C3CYP4F2
SCHEMBL6583603 0.80 APP (0.66) FFAR4APPALOX5AKR1C3FFAR1
SCHEMBL5881099 0.80 APP (0.73) FFAR4APPALOX5FFAR1KDM4E
SCHEMBL3802206 0.79 MMP8 (0.43) FFAR4APPMRGPRX4KDM4ELMNA
SCHEMBL2350166 0.77 FFAR1 (0.64) FFAR4APPAKR1C3FFAR1MRGPRX4
SCHEMBL2349219 0.77 FFAR1 (0.54) FFAR4APPAKR1C3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — WO 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB FFAR4 3942/4885APP 948/4885ALOX5 1021/4885

“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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