SCHEMBL12306528

SCHEMBL12306528

CC(=O)OC[C@@]1(C(C)OS(C)(=O)=O)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ GSTP1 P09211 2/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ ABCB1 P08183 3/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ MMP12 P39900 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
SCHEMBL2718172 0.85 GSTP1 (0.35) ALDH1A1CYP2D6MAPK1LMNAGSTP1
SCHEMBL1054906 0.80 CA1 (0.35) ALDH1A1CYP2D6MAPK1LMNAKMT2A
SCHEMBL5696092 0.78 ALDH1A1 (0.39) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL14511230 0.78 ALDH1A1 (0.39) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL5696091 0.78 ALDH1A1 (0.39) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL30689540 0.77 ALDH1A1 (0.35) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL25435703 0.76 ALDH1A1 (0.36) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL19492149 0.76 ALDH1A1 (0.36) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL1098278 0.76 ALDH1A1 (0.42) ALDH1A1CYP2D6MAPK1LMNAPRKCA
SCHEMBL1098275 0.76 ALDH1A1 (0.42) ALDH1A1CYP2D6MAPK1LMNAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022193-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-09-20 — — US disclosed
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-08-26 — — US disclosed
US-7741457-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-06-22 — — US disclosed
US-20090012281-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-01-08 — — US disclosed
US-7399845-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2008-07-15 — — US disclosed
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS FOUNDATION MEDICINE, INC. 2007-10-25 — — US disclosed
WO-2007090071-A2 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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 (3 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-20090012281-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM ALDH1A1 3471/4885CYP2D6 1233/4885MAPK1 4663/4885
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM ALDH1A1 3471/4885CYP2D6 1233/4885MAPK1 4663/4885
US-20100216979-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM ALDH1A1 3471/4885CYP2D6 1233/4885MAPK1 4663/4885

“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.

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