SCHEMBL16406505

SCHEMBL16406505

CC1(C)Oc2c(C=O)c(C=O)cc(O)c2C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 1/20 0.51
▸ FUT6 P51993 1/20 0.51
▸ FUT5 Q11128 1/20 0.51
▸ ST3GAL1 Q11201 1/20 0.51
▸ ST3GAL3 Q11203 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ CTSV O60911 1/20 0.34
▸ OSBP P22059 1/20 0.34
▸ PTPN1 P18031 3/20 0.33
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SI P14410 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MGAM2 Q2M2H8 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
SCHEMBL30075081 0.76 ALOX5 (0.44) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406480 0.76 ALOX5 (0.44) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16408426 0.76 ST6GAL1 (0.41) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406482 0.75 ST6GAL1 (0.41) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406486 0.71 DHODH (0.45) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL15978374 0.66 ST6GAL1 (0.76) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL569538 0.63 KDM4E (0.38) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL14523859 0.61 PTPN1 (0.47) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL1527084 0.59 PIM1 (0.45) —
SCHEMBL30366229 0.59 PIM1 (0.45) —

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-9216987-B2 Chroman derivative TMS CO., LTD. (JP) 2015-12-22 — — US disclosed
US-20150025251-A1 CHROMAN DERIVATIVE TMS CO., LTD. (JP) 2015-01-22 — — 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-20150025251-A1 CHROMAN DERIVATIVE CDYL, CNOT1, CNPY2 ST6GAL1 3125/4885FUT6 4226/4885FUT5 3497/4885

“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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