SCHEMBL13249092

SCHEMBL13249092

Brc1c2ccccc2cc2c1ccc1cc(-c3cc4c(Br)c5ccccc5cc4c4ccccc34)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HPRT1 P00492 4/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP11B1 P15538 1/20 0.38
GSTP1 P09211 1/20 0.37
POLB P06746 1/20 0.37
SOS1 Q07889 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL13249098 0.92 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL13985499 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2787069 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL3000354 0.81 HDAC8 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL13249093 0.81 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL13249086 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL18806368 0.78 SOS1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HSD17B1
SCHEMBL13985496 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2861014 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1HSD17B1
SCHEMBL3799524 0.77 GSTP1 (0.59) ALDH1A1HSD17B10HPRT1HSD17B1HSD17B2

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-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 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-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.