SCHEMBL16406491

SCHEMBL16406491

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.42
▸ MAOB P27338 3/20 0.41
▸ APP P05067 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ NR1H4 Q96RI1 2/20 0.39
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL16406485 0.89 APP (0.45) ALOX5MAOBAPPPTPN1NR1H4
SCHEMBL16406480 0.88 ALOX5 (0.44) ALOX5MAOBAPP
SCHEMBL16406504 0.88 ALOX5 (0.44) ALOX5MAOBAPP
SCHEMBL30075081 0.88 ALOX5 (0.44) ALOX5MAOBAPP
SCHEMBL30645386 0.86 ALOX5 (0.45) ALOX5MAOBAPPNR1H4BACE1
SCHEMBL16406492 0.85 APP (0.44) ALOX5MAOBAPPPTPN1NR1H4
SCHEMBL16406487 0.82 ALOX5 (0.39) ALOX5MAOBAPPPTPN1NR1H4
SCHEMBL16406489 0.81 APP (0.38) ALOX5MAOBAPPPTPN1NR1H4
SCHEMBL16406488 0.79 ALOX5 (0.41) ALOX5MAOBAPPPTPN1NR1H4
SCHEMBL16406481 0.79 ALOX5 (0.41) ALOX5MAOB

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 ALOX5 3596/4885MAOB 2485/4885APP 2822/4885

“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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