SCHEMBL2869501

SCHEMBL2869501

Brc1cccc2c1ccc1c(Br)c3ccccc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 1/20 0.40
POLB P06746 1/20 0.38
HPRT1 P00492 3/20 0.38
SLC9A1 P19634 1/20 0.37
CYP1A2 P05177 3/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TRPM4 Q8TD43 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL21409508 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL13249086 0.86 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL18548885 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL1517516 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL1234095 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2787069 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL2860111 0.81 SOS1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL3000354 0.81 HDAC8 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL13249093 0.81 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1POLB
SCHEMBL8781129 0.81 HPRT1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
EP-2148909-A2 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2010-02-03 EP disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885HSD17B10 936/4885HIF1A 3505/4885

“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.