SCHEMBL5852406

SCHEMBL5852406

CC(C)C(=O)OCC(C)(C)OC(C)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
EPHX1 P07099 5/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
EPHX2 P34913 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5852392 0.87 EPHX1 (0.33) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL2908615 0.84 ALDH1A1 (0.33) ALDH1A1EPHX1CA12CA1CA2
SCHEMBL17214616 0.77 ALDH1A1 (0.33) ALDH1A1POLBMAPTEPHX1CA12
SCHEMBL17214653 0.77 ALDH1A1 (0.33) ALDH1A1POLBMAPTEPHX1CA12
SCHEMBL12849220 0.76 GRIK1 (0.31)
SCHEMBL2901853 0.75 SHBG (0.35) MAPTEPHX1CA12CA1CA2
SCHEMBL5852494 0.75 EPHX1 (0.31) EPHX1
SCHEMBL2908285 0.73 CHRM2 (0.32)
SCHEMBL5140653 0.72 ADRB2 (0.36) ALDH1A1
SCHEMBL30457924 0.71 EPHX1 (0.40) ALDH1A1EPHX1CA12CA1CA2

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
EP-2632554-B1 PERFUME SYMRISE AG (DE) 2017-01-04 EP disclosed
US-7064102-B2 Alicyclic esters having a musky smell SYMRISE GMBH & CO, KG (DE) 2006-06-20 US disclosed
US-20050182273-A1 Novel alicyclic esters having a musky smell SYMRISE AG (DE) 2005-08-18 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-20050182273-A1 Novel alicyclic esters having a musky smell TAS2R16, TAS2R43, TAS2R45 ALDH1A1 336/4885POLB 3942/4885MAPT 3811/4885

“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.