SCHEMBL13134679

SCHEMBL13134679

CC(=O)OC1O[C@H](C(C)OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LGALS9 O00182 1/20 0.37
LGALS1 P09382 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS7; LGALS7B P47929 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13134673 1.00 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL881993 1.00 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL22742954 1.00 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL6098797 1.00 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL882327 1.00 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL31472992 1.00 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL13471854 0.90 LGALS9 (0.40) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL2812253 0.89 NT5E (0.45) TP53NPC1RAB9ALGALS3PTPN1
SCHEMBL780227 0.89 NT5E (0.45) TP53NPC1RAB9ALGALS3PTPN1
SCHEMBL781724 0.89 NT5E (0.45) TP53NPC1RAB9ALGALS3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR LMNA 1477/4885CYP1A2 4285/4885CYP2D6 3150/4885

“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.