SCHEMBL4190352

SCHEMBL4190352

CCOC(=O)CCC(=O)C1CCC(COCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PTGIR P43119 2/20 0.40
EGFR P00533 2/20 0.40
PTGDR Q13258 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL4224546 0.88 SMN1; SMN2 (0.41) SMN1; SMN2EGFRMAPK1PKMNPSR1
SCHEMBL4182913 0.88 SMN1; SMN2 (0.41) SMN1; SMN2EGFRMAPK1PKMNPSR1
SCHEMBL2374934 0.86 PKM (0.52) EGFRMAPK1PKMNPSR1TAS2R14
SCHEMBL2374933 0.86 PKM (0.52) EGFRMAPK1PKMNPSR1TAS2R14
SCHEMBL12093795 0.85 ALDH1A1 (0.41) PTGIRPTGDRALDH1A1ABL1RIN1
SCHEMBL4186064 0.85 PTGIR (0.44) PTGIRPTGDRALDH1A1
SCHEMBL4342663 0.85 PTGIR (0.44) PTGIRPTGDRALDH1A1
SCHEMBL23518932 0.80 ALDH1A1 (0.54) SMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL25295156 0.79 TAS2R14 (0.46) PTGIREGFRPTGDRMAPK1PKM
SCHEMBL24607953 0.78 CTSL (0.43) PTGIRPTGDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 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 (3 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-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 SMN1; SMN2 4404/4885PTGIR 1846/4885EGFR 4195/4885
US-20120225874-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS CETP, LCAT, CES1 SMN1; SMN2 4404/4885PTGIR 1846/4885EGFR 4195/4885
US-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP SMN1; SMN2 4730/4885PTGIR 998/4885EGFR 3472/4885

“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.