SCHEMBL4354113

SCHEMBL4354113

O=C(O)c1ccc(Br)cc1-c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
DGAT1 O75907 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MYC P01106 1/20 0.38
NR4A1 P22736 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TTR P02766 2/20 0.37
ACLY P53396 1/20 0.37
KEAP1 Q14145 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
SCHEMBL4342153 0.85 DGAT1 (0.42) KDM4EGLADGAT1AKR1C3AKR1C2
SCHEMBL17797003 0.84 KEAP1 (0.48) KDM4EDCLRE1BMEN1KMT2ATTR
SCHEMBL14873563 0.83 AKR1C3 (0.53) KDM4EGLADGAT1AKR1C3AKR1C2
SCHEMBL19767751 0.82 AKR1C3 (0.51) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL629723 0.80 AKR1C3 (0.64) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL593271 0.79 ACLY (0.54) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL17796931 0.77 ALDH1A1 (0.48) AKR1C2AKR1C1MYCALDH1A1ACMSD
SCHEMBL31279164 0.76 AKR1C3 (0.43) KDM4EGLADGAT1AKR1C3AKR1C2
SCHEMBL18223995 0.76 KDM1A (0.54) KDM4EAKR1C3AKR1C2AKR1C1ACLY
SCHEMBL156346 0.74 DGAT1 (0.68) KDM4EGLADGAT1MYCNR4A1

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-7544400-B2 Bimesogenic compounds and flexoelectric devices MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 US disclosed
EP-1828345-B1 BIMESOGENIC COMPOUNDS AND FLEXOELECTRIC DEVICES MERCK PATENT GMBH (DE) 2008-05-14 EP disclosed
EP-1828345-A1 BIMESOGENIC COMPOUNDS AND FLEXOELECTRIC DEVICES Merck Patent GmbH (DE) 2007-09-05 EP disclosed
WO-2006066688-A1 BIMESOGENIC COMPOUNDS AND FLEXOELECTRIC DEVICES MERCK PATENT GMBH (DE) 2006-06-29 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-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MLX, FOXM1, SFXN1 KDM4E 4627/4885GLA 2636/4885DGAT1 4596/4885

“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.