SCHEMBL4632405

SCHEMBL4632405

CCCC(C)C(O)CC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL18828587 0.84 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10702491 0.82 TSHR (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL16558808 0.81 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1405923 0.79 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16865360 0.79 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7071465 0.79 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13071696 0.79 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5001444 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5483236 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7952798 0.78 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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
US-20080260670-A1 Organic Compounds GIVAUDAN SA (CH) 2008-10-23 US disclosed
EP-1926531-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2008-06-04 EP disclosed
WO-2007033508-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2007-03-29 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-20080260670-A1 Organic Compounds OR10J3, OR51E2, ELOVL1 MGAM 2915/4885GAA 2970/4885SI 2745/4885

“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.