SCHEMBL10051725

SCHEMBL10051725

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 2/20 0.38
▸ GLB1 P16278 1/20 0.38
▸ CA2 P00918 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.31
▸ TXNRD3 Q86VQ6 1/20 0.31
▸ TXNRD2 Q9NNW7 1/20 0.31
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL24686932 1.00 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL8921913 0.89 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7148398 0.87 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL8695095 0.87 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL18090749 0.87 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL1783593 0.87 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL8696251 0.87 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12803859 0.87 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL17110046 0.87 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4308897 0.87 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1

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-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 — — 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 (4 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-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PI4KA 3958/4885PI4K2B 4134/4885PI4K2A 4243/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PI4KA 3958/4885PI4K2B 4134/4885PI4K2A 4243/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR PI4KA 4125/4885PI4K2B 4285/4885PI4K2A 4377/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 PI4KA 3958/4885PI4K2B 4134/4885PI4K2A 4243/4885

“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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