SCHEMBL14890502

SCHEMBL14890502

COC[C@H]1OC(C)(C)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1OOC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.36
▸ ADRA1A P35348 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12530942 0.79 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL14903569 0.79 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL12530571 0.79 MEN1 (0.51) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL12530650 0.75 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL14903568 0.75 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL12530947 0.74 KMT2A (0.52) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL8908966 0.73 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL14903571 0.72 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL12530654 0.72 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ADRA1A
SCHEMBL14903572 0.72 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALDH1A1ADRA1A

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

“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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