SCHEMBL4600511

SCHEMBL4600511

c1ccc2c(-c3ccc(-c4ccc(-c5c6ccccc6cc6ccccc56)c5ccccc45)c4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HTR2A P28223 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
DNMT1 P26358 1/20 0.43
CYP1A2 P05177 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42

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
SCHEMBL4264384 0.97 CES1 (0.50) CES1ALOX5ALDH1A1HSD17B10HIF1A
SCHEMBL7243627 0.91 CES1 (0.52) CES1ALOX5ALDH1A1HSD17B10HIF1A
SCHEMBL12560696 0.87 CES1 (0.41) CES1ALOX5ALDH1A1HSD17B10HIF1A
SCHEMBL701570 0.86 CES1 (0.55) CES1ALOX5ALDH1A1HSD17B10HIF1A
SCHEMBL30543005 0.86 MEN1 (0.52) CES1ALOX5ALDH1A1HSD17B10CYP1A2
SCHEMBL15366767 0.86 MEN1 (0.52) CES1ALOX5ALDH1A1HSD17B10CYP1A2
SCHEMBL338172 0.85 CES1 (0.55) CES1ALOX5ALDH1A1HSD17B10HIF1A
SCHEMBL11977700 0.84 ALOX5 (0.58) CES1ALOX5ALDH1A1HSD17B10CYP1A2
SCHEMBL12560726 0.84 CES1 (0.42) CES1ALOX5ALDH1A1HSD17B10HIF1A
SCHEMBL22155106 0.84 CES1 (0.46) CES1ALOX5ALDH1A1HSD17B10HIF1A

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-9017825-B2 Anthracene derivatives and their use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-04-28 US disclosed
US-20080303423-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 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-20080303423-A1 Novel Materials For Organic Electroluminescent Devices ANXA2, ANXA7, ANXA1 CES1 4439/4885ALOX5 1620/4885ALDH1A1 576/4885

“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.