SCHEMBL16406489

SCHEMBL16406489

COC(=O)c1cc(O)c2c(c1C(=O)OC)OC(C)(CC/C=C(\C)CCC=C(C)C)C(O)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.38
▸ ALOX5 P09917 4/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.36
▸ BACE1 P56817 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
SCHEMBL16406488 0.89 ALOX5 (0.41) APPALOX5PTPN1MAOBNR1H4
SCHEMBL16406485 0.88 APP (0.45) APPALOX5PTPN1MAOBNR1H4
SCHEMBL16406490 0.86 ALOX5 (0.37) APPALOX5PTPN1NR1H4BACE1
SCHEMBL16406487 0.85 ALOX5 (0.39) APPALOX5PTPN1MAOBNR1H4
SCHEMBL16406492 0.81 APP (0.44) APPALOX5PTPN1MAOBNR1H4
SCHEMBL16406491 0.81 ALOX5 (0.42) APPALOX5PTPN1MAOBNR1H4
SCHEMBL30075081 0.77 ALOX5 (0.44) APPALOX5MAOB
SCHEMBL16406480 0.77 ALOX5 (0.44) APPALOX5MAOB
SCHEMBL16406504 0.77 ALOX5 (0.44) APPALOX5MAOB
SCHEMBL908611 0.76 ST6GAL1 (0.41) APPALOX5NR1H4BACE1

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 APP 2822/4885ALOX5 3596/4885PTPN1 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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