SCHEMBL5011997

SCHEMBL5011997

O=C(O)Cc1cc(Br)c(CC(=O)O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.44
THRB P10828 4/20 0.42
MCL1 Q07820 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
THRA P10827 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SRC P12931 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
GRB2 P62993 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL29142089 0.95 AKR1B1 (0.41) AKR1B1THRBMCL1MEN1POLB
SCHEMBL28816931 0.84 AKR1B1 (0.47) AKR1B1THRBMCL1MEN1POLB
SCHEMBL21352167 0.84 AKR1B1 (0.41) AKR1B1THRBTHRA
SCHEMBL3366555 0.84 CXCL8 (0.40) AKR1B1THRBMEN1POLBKMT2A
SCHEMBL30835160 0.84 CXCL8 (0.40) AKR1B1THRBMEN1POLBKMT2A
SCHEMBL10479066 0.80 PTGDR2 (0.42) AKR1B1MEN1KMT2AHSD17B10SRC
SCHEMBL29661155 0.80 PTGDR2 (0.46) AKR1B1THRBMEN1KMT2ATDP1
SCHEMBL29710650 0.80 PTGDR2 (0.42) AKR1B1MEN1KMT2AHSD17B10SRC
SCHEMBL1758414 0.80 PTGDR2 (0.46) AKR1B1THRBMEN1KMT2ATDP1
SCHEMBL1097092 0.80 AKR1B1 (0.42) AKR1B1THRBMCL1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 US disclosed
US-8852756-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8334058-B2 Emitters for systems which emit in dark blue; stable, significantly longer lifetime; can be sublimed well without decomposition; easier to process; more suitable for OLEDs; operating voltage, power efficiency remain unchanged at large layer thicknesses; important for production of full-colour displays MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080145708-A1 Compounds For Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-06-19 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 (3 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-20080220285-A1 Derivatives of fused aromatic systems; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers; high efficiency and high stability on use in organic electroluminescent devices TYR, DDT, PAH AKR1B1 570/4885THRB 3335/4885MCL1 1583/4885
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 AKR1B1 3180/4885THRB 3726/4885MCL1 2676/4885
US-20080145708-A1 Compounds For Organic Electronic Devices TYR, TOE1, GPX1 AKR1B1 3180/4885THRB 3726/4885MCL1 2676/4885

“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.