SCHEMBL14616293

SCHEMBL14616293

CCC/C=C(/C)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 1/20 0.51
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
FAAH O00519 2/20 0.41
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7535763 1.00 CYP2D6 (0.51) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL1759140 1.00 CYP2D6 (0.51) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL374982 0.88 CYP2D6 (0.49) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL22874083 0.88 CYP2D6 (0.49) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL27535562 0.88 CYP2D6 (0.47) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL5293383 0.87 CYP2D6 (0.41) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL10580055 0.86 CYP2D6 (0.48) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL4933681 0.86 FAAH (0.53) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL375531 0.86 FAAH (0.53) CYP2D6CYP2C19GLO1ALDH1A1LMNA
SCHEMBL24597077 0.85 CYP2D6 (0.54) CYP2D6CYP2C19GLO1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840540-A Spice or flavouring mixtures 西姆莱斯股份公司 2021-12-24 CN disclosed
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 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-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 CYP2D6 4423/4885CYP2C19 4676/4885GLO1 4205/4885

“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.