SCHEMBL3799726

SCHEMBL3799726

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
APP P05067 2/20 0.44
CYP4Z1 Q86W10 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
ALOX5 P09917 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3799639 0.90 CYP4F2 (0.45) CYP4F2CYP4A11CYP4Z1ALDH1A1HPGD
SCHEMBL2302006 0.86 CYP4F2 (0.54) CYP4F2CYP4A11APPCYP4Z1KDM4E
SCHEMBL491004 0.85 CYP4F2 (0.57) CYP4F2CYP4A11APPCYP4Z1CYP1A2
SCHEMBL2347025 0.82 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1PDE3B
SCHEMBL3800196 0.80 CYP4F2 (0.46) CYP4F2CYP4A11CYP4Z1KDM4EALDH1A1
SCHEMBL17185943 0.80 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1KDM4EALDH1A1
SCHEMBL3797922 0.79 CYP4F2 (0.44) CYP4F2CYP4A11CYP4Z1KDM4EALDH1A1
SCHEMBL3797924 0.79 CYP4F2 (0.44) CYP4F2CYP4A11CYP4Z1KDM4EALDH1A1
SCHEMBL7857817 0.79 CYP4F2 (0.57) CYP4F2CYP4A11CYP4Z1KDM4EHPGD
SCHEMBL17197084 0.79 CYP4F2 (0.50) CYP4F2CYP4A11CYP4Z1KDM4EALDH1A1

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 CYP4F2 394/4885CYP4A11 282/4885APP 948/4885

“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.