SCHEMBL2848560

SCHEMBL2848560

c1ccc2c(-c3ccc4ccc5ccccc5c4c3)c3ccccc3cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HSD17B10 Q99714 3/20 0.62
CYP1B1 Q16678 2/20 0.62
HIF1A Q16665 1/20 0.62
ALOX5 P09917 2/20 0.60
CYP2A6 P11509 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 3/20 0.52
HPGD P15428 2/20 0.52
HPRT1 P00492 3/20 0.48
NQO2 P16083 2/20 0.47
ERBB2 P04626 1/20 0.45
FYN P06241 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
AHR P35869 1/20 0.45
NQO1 P15559 1/20 0.42
MAPT P10636 2/20 0.41
SOS1 Q07889 1/20 0.40

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
SCHEMBL27916683 0.91 ALOX5 (0.60) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL2848482 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL2849156 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL15366577 0.84 ALOX5 (0.62) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL170247 0.84 ALOX5 (0.62) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL6684079 0.84 ALOX5 (0.62) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL28353300 0.84 ALOX5 (0.62) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL29349888 0.84 ALOX5 (0.62) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL25411836 0.84 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL31171124 0.84 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1AALOX5

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-8993123-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-31 US disclosed
US-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
EP-2240425-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2010-10-20 EP disclosed
WO-2009100925-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-08-20 WO 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-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, ELAVL1, EPCAM ALDH1A1 336/4885HSD17B10 2767/4885CYP1B1 836/4885

“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.