SCHEMBL16406486

SCHEMBL16406486

C/C(=C\CCC1(C)Oc2c(C=O)c(C=O)cc(O)c2CC1O)CCC(O)C(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.45
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ ST6GAL1 P15907 1/20 0.37
▸ FUT6 P51993 1/20 0.37
▸ FUT5 Q11128 1/20 0.37
▸ ST3GAL1 Q11201 1/20 0.37
▸ ST3GAL3 Q11203 1/20 0.37
▸ APP P05067 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ALOX5 P09917 5/20 0.36
▸ CYP3A4 P08684 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL30075081 0.86 ALOX5 (0.44) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406504 0.86 ALOX5 (0.44) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406480 0.86 ALOX5 (0.44) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406481 0.84 ALOX5 (0.41) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL22863219 0.83 PTPN2 (0.42) DHODHPTPN2PTPN1PTPN6APP
SCHEMBL16406483 0.79 ALOX5 (0.41) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL16406484 0.78 ALOX5 (0.44) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL9880209 0.78 PTPN2 (0.40) DHODHPTPN2PTPN1PTPN6APP
SCHEMBL29425569 0.78 PTPN2 (0.40) DHODHPTPN2PTPN1PTPN6APP
SCHEMBL22863341 0.75 PTPN2 (0.38) DHODHPTPN2PTPN1PTPN6APP

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-9216987-B2 Chroman derivative TMS CO., LTD. (JP) 2015-12-22 — — US disclosed
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
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 DHODH 2309/4885PTPN2 1705/4885PTPN1 1700/4885

“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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