SCHEMBL4524592

SCHEMBL4524592

CC(C)(C)[C@H]1OC(=O)[C@](c2ccccc2)([C@H]2CCC(=O)C2)O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 4/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5792460 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL8309292 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL4516595 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL8308908 1.00 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL2793010 0.93 L3MBTL1 (0.36) MAPK1SMN1; SMN2CHRM2CHRM4L3MBTL1
SCHEMBL2797900 0.93 L3MBTL1 (0.36) MAPK1SMN1; SMN2CHRM2CHRM4L3MBTL1
SCHEMBL2792896 0.93 L3MBTL1 (0.36) MAPK1SMN1; SMN2CHRM2CHRM4L3MBTL1
SCHEMBL7478239 0.92 MEN1 (0.34) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL7471671 0.90 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1
SCHEMBL8308654 0.90 MAPK1 (0.33) MAPK1SMN1; SMN2CHRM2CHRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 US disclosed
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 MAPK1 3311/4885SMN1; SMN2 2905/4885CHRM2 2/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 MAPK1 2867/4885SMN1; SMN2 2666/4885CHRM2 2/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 MAPK1 3351/4885SMN1; SMN2 2971/4885CHRM2 2/4885

“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.