SCHEMBL700687

SCHEMBL700687

OCCOOB(O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
RECQL P46063 1/20 0.32
TRPM4 Q8TD43 1/20 0.32
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31

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
SCHEMBL700686 0.83 HTR2A (0.36) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL700808 0.80 ALDH1A1 (0.34) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL14677890 0.72 HSD17B10 (0.39) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL1138975 0.72 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5134895 0.69 ALDH1A1 (0.41) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL29361893 0.69 ALDH1A1 (0.41) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL29414927 0.68 HSD17B10 (0.46) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL24958 0.68 HSD17B10 (0.46) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL5115767 0.68 ALDH1A1 (0.47) L3MBTL1HTR2AMEN1KMT2AALDH1A1
SCHEMBL14716623 0.67 ALDH1A1 (0.36) ALDH1A1KDM4ECYP1A2RECQL

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 L3MBTL1 1759/4885HTR2A 3480/4885MEN1 3497/4885

“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.