SCHEMBL700808

SCHEMBL700808

OCCOOB(O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
PKM P14618 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
SCHEMBL700687 0.80 L3MBTL1 (0.38) ALDH1A1KDM4ERECQLMEN1MAPT
SCHEMBL6276958 0.77 CNR2 (0.37) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL14716623 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EGAARECQL
SCHEMBL28558634 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL829841 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL5953133 0.70 HTR1B (0.40) ALDH1A1KDM4EGAARECQLMEN1
SCHEMBL1479148 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL1138975 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EGAARECQLMEN1
SCHEMBL27554043 0.68 HTR1B (0.51) ALDH1A1KDM4ERECQLMEN1KMT2A
SCHEMBL28715754 0.67 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMEN1MAPT

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-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR ALDH1A1 1325/4885KDM4E 1657/4885GAA 2810/4885

“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.