SCHEMBL702491

SCHEMBL702491

O=Cc1ccccc1-c1c2ccccc2cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERN1 O75460 2/20 0.42
SOS1 Q07889 1/20 0.41
DNMT1 P26358 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL702795 0.86 LMNA (0.55) MEN1KMT2ALMNATHRBBLM
SCHEMBL4574476 0.84 ERN1 (0.48) CES1MEN1KMT2ALMNATHRB
SCHEMBL6155766 0.84 ERN1 (0.48) CES1MEN1KMT2ALMNATHRB
SCHEMBL8373153 0.83 ERN1 (0.47) CES1MEN1KMT2ATDP1ERN1
SCHEMBL27946620 0.81 ERN1 (0.43) CES1MEN1KMT2ALMNATHRB
SCHEMBL3415931 0.81 ALDH1A1 (0.46) MEN1KMT2ALMNATHRBBLM
SCHEMBL1352868 0.81 CES1 (0.43) CES1MEN1KMT2ASOS1DNMT1
SCHEMBL9914806 0.80 ERN1 (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL14236988 0.79 KMT2A (0.43) CES1MEN1KMT2ALMNATHRB
SCHEMBL12760713 0.79 ERN1 (0.54) MEN1KMT2AERN1DNMT1HSD17B10

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 CES1 4786/4885MEN1 3497/4885KMT2A 2174/4885

“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.