SCHEMBL12724456

SCHEMBL12724456

BC1OC2COC(=O)[C@]2(C)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ TP53 P04637 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ PPM1B O75688 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PPP1CC P36873 1/20 0.32
▸ TFPI2 P48307 1/20 0.32
▸ PPP5C P53041 1/20 0.32
▸ PPP2CA P67775 1/20 0.32
▸ PPP1CA P62136 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GMNN O75496 1/20 0.32

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
SCHEMBL12702975 1.00 SMN1; SMN2 (0.35) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL12702974 1.00 SMN1; SMN2 (0.35) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL20998608 0.70 SMN1; SMN2 (0.33) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL13408034 0.67 TP53 (0.34) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL1824543 0.63 TP53 (0.33) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL5305197 0.63 TP53 (0.33) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL10046442 0.62 — —
SCHEMBL475787 0.62 TP53 (0.32) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL13204860 0.62 TP53 (0.32) SMN1; SMN2TP53CYP3A4MAPK1HIF1A
SCHEMBL13204871 0.62 TP53 (0.32) SMN1; SMN2TP53CYP3A4MAPK1HIF1A

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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 — — US disclosed
WO-2009115927-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2009-09-24 — — 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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR SMN1; SMN2 1434/4885TP53 223/4885CYP3A4 3169/4885

“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