SCHEMBL5582384

SCHEMBL5582384

O=C1C[C@@H](OC(=O)c2ccccc2)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 1/20 0.43
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2696973 1.00 CHRNA7 (0.49) CHRNA7MEN1KMT2AGAAHTR3E
SCHEMBL27598256 1.00 CHRNA7 (0.49) CHRNA7MEN1KMT2AGAAHTR3E
SCHEMBL1900169 0.81 PTPN1 (0.39) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL28339381 0.78 CHRNA7 (0.56) CHRNA7MEN1KMT2AGAAHTR3E
SCHEMBL15193256 0.78 CHRNA7 (0.56) CHRNA7MEN1KMT2AGAAHTR3E
SCHEMBL12689962 0.77 HTT (0.37) HTR3AMAPTLMNA
SCHEMBL6561804 0.75 HTT (0.47) CHRNA7MEN1KMT2ATSHRMAPT
SCHEMBL6560271 0.75 HTT (0.47) CHRNA7MEN1KMT2ATSHRMAPT
SCHEMBL4453290 0.75 MEN1 (0.69) CHRNA7MEN1KMT2AGAAHTR3E
SCHEMBL1786140 0.75 MEN1 (0.69) CHRNA7MEN1KMT2AGAAHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1483730-A 'Beta'-substituted-'gamma'-butyrolactone 鱼洪善 2004-03-24 CN claimed
EP-1398312-A1 Beta-substituted-gamma-butyrolactones and a process for preparation thereof Uh, Hong-Sun (KR) 2004-03-17 EP claimed
US-20120108531-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-05-03 US disclosed
CN-1483730-A 'Beta'-substituted-'gamma'-butyrolactone 鱼洪善 2004-03-24 CN disclosed
EP-1398312-A1 Beta-substituted-gamma-butyrolactones and a process for preparation thereof Uh, Hong-Sun (KR) 2004-03-17 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 (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-20120108531-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION TYMP, PNP, NUDT1 CHRNA7 4516/4885MEN1 4863/4885KMT2A 4006/4885

“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.