SCHEMBL5694116

SCHEMBL5694116

C=CCOP(=O)(OCCC#N)O[C@H]1C[C@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(OCCC#N)[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TYMS P04818 3/20 0.40

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
SCHEMBL5908162 0.92 LMNA (0.42) LMNASMN1; SMN2TYMS
SCHEMBL5694161 0.76 LMNA (0.40) LMNASMN1; SMN2TYMS
SCHEMBL5694130 0.76 POLB (0.47) —
SCHEMBL5908156 0.73 TYMS (0.42) LMNASMN1; SMN2TYMS
SCHEMBL5694262 0.73 P2RY12 (0.37) —
SCHEMBL30171317 0.68 POLB (0.50) TYMS
SCHEMBL26479958 0.68 TK1 (0.52) TYMS
SCHEMBL30088522 0.68 LMNA (0.73) LMNAALOX12ADRA1ASMN1; SMN2TYMS
SCHEMBL13901243 0.67 TK1 (0.49) —
SCHEMBL10568125 0.66 LMNA (0.66) LMNAALOX12ADRA1ASMN1; SMN2TYMS

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
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB LMNA 321/4885ALOX12 2905/4885ADRA1A 3056/4885

“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.

Send feedback