SCHEMBL6123565

SCHEMBL6123565

Oc1c(O)c(O)c(-c2ccc(N(c3ccc(-c4c5ccccc5c(-c5ccc(N(c6ccc(-c7c(O)c(O)c(O)c(O)c7O)cc6)c6c(O)c(O)c(O)c(O)c6O)cc5)c5ccccc45)cc3)c3c(O)c(O)c(O)c(O)c3O)cc2)c(O)c1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.37
▸ ALOX5 P09917 1/20 0.33
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ SENP1 Q9P0U3 1/20 0.31
▸ MAPT P10636 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
SCHEMBL6123631 0.89 ACHE (0.34) ACHEESR1ESR2KDM4ERCE1
SCHEMBL6123562 0.84 ACHE (0.35) ACHEKDM4ERCE1MAPT
SCHEMBL6123605 0.82 ACHE (0.31) ACHE
SCHEMBL6123567 0.79 ACHE (0.36) ACHEKDM4ERCE1PDE4APDE4B
SCHEMBL6123516 0.78 PTAFR (0.33) ACHEKDM4ERCE1MAPT
SCHEMBL6123632 0.78 — —
SCHEMBL25056917 0.77 ALDH1A1 (0.45) ALOX5KDM4EPDE4APDE4BPDE4C
SCHEMBL18801565 0.77 ALDH1A1 (0.45) ALOX5KDM4EPDE4APDE4BPDE4C
SCHEMBL26318179 0.76 KMT2A (0.38) KDM4ERCE1MAPT
SCHEMBL26318464 0.76 KMT2A (0.38) KDM4ERCE1MAPT

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-8173272-B2 Diamine derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2012-05-08 — — US disclosed
US-8173272-B2 Diamine derivatives, preparation method thereof and organic electronic device using the same LG CHEM, LTD. (KR) 2012-05-08 — — US disclosed
US-20090134781-A1 Diamine Derivatives, Preparation Method Thereof and Organic Electronic Device Using the Same LG CHEM, LTD. (KR) 2009-05-28 — — US disclosed
US-20090134781-A1 Diamine Derivatives, Preparation Method Thereof and Organic Electronic Device Using the Same LG CHEM, LTD. (KR) 2009-05-28 — — 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-20090134781-A1 Diamine Derivatives, Preparation Method Thereof and Organic Electronic Device Using the Same DDT, AOC1, DDC ACHE 688/4885ALOX5 1831/4885ESR1 335/4885

“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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