SCHEMBL16098563

SCHEMBL16098563

O=C(O)c1cc(Br)cc(C(=O)O)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.56
AKR1C2 P52895 2/20 0.56
AKR1C1 Q04828 2/20 0.56
AKR1C4 P17516 1/20 0.56
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.48
GLA P06280 1/20 0.48
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
GPR35 Q9HC97 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
KEAP1 Q14145 2/20 0.39
APEX1 P27695 1/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
NFE2L2 Q16236 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL5854041 0.89 AKR1C3 (0.61) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL671102 0.89 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL30300276 0.89 AKR1C2 (0.50) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL25340705 0.87 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL29509769 0.87 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL22492250 0.85 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL30888609 0.85 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL19951043 0.85 KDM4E (0.55) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL25309509 0.85 AKR1C2 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10
SCHEMBL14784449 0.85 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718281-A Synthetic structural unit for preparing material for organic electroluminescent device 默克专利有限公司 2020-09-29 CN disclosed
EP-2976322-B1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
EP-2976322-B1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
EP-2976322-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2016-01-27 EP disclosed
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO disclosed
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 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 (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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 AKR1C3 3322/4885AKR1C2 3155/4885AKR1C1 3008/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 AKR1C3 3322/4885AKR1C2 3155/4885AKR1C1 3008/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 AKR1C3 3322/4885AKR1C2 3155/4885AKR1C1 3008/4885

“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.