SCHEMBL12530947

SCHEMBL12530947

CC1(C)O[C@H](CO)[C@@H](O)[C@@H]2OC(c3ccccc3)OC[C@H]2O1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC5A2 P31639 6/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL4633222 0.83 MEN1 (0.41) KMT2AMEN1L3MBTL1SLC5A2
SCHEMBL12530571 0.83 MEN1 (0.51) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL12530942 0.82 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL14903569 0.82 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL1294026 0.80 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL16579690 0.80 MEN1 (0.38) KMT2AMEN1L3MBTL1SLC5A2
SCHEMBL7155506 0.78 KMT2A (0.57) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL22762718 0.78 KMT2A (0.56) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL9299015 0.76 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL18091411 0.76 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109735-A1 SALACINOL AND PONKORANOL HOMOLOGUES, DERIVATIVES THEREOF, AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2013-05-02 — — US disclosed
US-20130109735-A1 SALACINOL AND PONKORANOL HOMOLOGUES, DERIVATIVES THEREOF, AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2013-05-02 — — US disclosed
US-20130109735-A1 SALACINOL AND PONKORANOL HOMOLOGUES, DERIVATIVES THEREOF, AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2013-05-02 — — US disclosed
WO-2011066653-A1 SALACINOL AND PONKORANOL HOMOLOGUES, DERIVATIVES THEREOF, AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2011-06-09 — — 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 (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-20130109735-A1 SALACINOL AND PONKORANOL HOMOLOGUES, DERIVATIVES THEREOF, AND METHODS OF SYNTHESIZING SAME GBA3, SI, GANAB KMT2A 3965/4885MEN1 4823/4885L3MBTL1 1230/4885

“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