SCHEMBL4011048

SCHEMBL4011048

COC(=O)[C@H](C)[C@H](O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ TP53 P04637 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EPHX1 P07099 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL4011341 1.00 CA12 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL13150839 0.79 TP53 (0.43) CA12CA1CA2MMP2CA9
SCHEMBL13150879 0.79 TP53 (0.43) CA12CA1CA2MMP2CA9
SCHEMBL5536049 0.78 TP53 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL6592409 0.78 TP53 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL14679339 0.78 TP53 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL7632176 0.78 TP53 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL3996792 0.78 TP53 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL1874858 0.78 TP53 (0.47) CA12CA1CA2MMP2CA9
SCHEMBL27818821 0.77 THRB (0.41) CA12CA1CA2MMP2CA9

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-7541456-B2 Enolization; dimerization; trimerization; for synthesis of sugar molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-06-02 — — US disclosed
US-20050197498-A1 Enolization; dimerization; trimerization; for synthesis of sugar molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-09-08 — — 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-20050197498-A1 Enolization; dimerization; trimerization; for synthesis of sugar molecules DERA, ALDOA, TALDO1 CA12 478/4885CA1 1398/4885CA2 1469/4885

“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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