SCHEMBL4354107

SCHEMBL4354107

O=C(O)c1ccccc1-c1cc(F)c(Br)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
FOLH1 Q04609 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DHODH Q02127 3/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HNF4A P41235 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ERN1 O75460 1/20 0.43
AKR1C3 P42330 2/20 0.42
MAPT P10636 1/20 0.42
MYC P01106 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5151025 0.86 ACMSD (0.50) ACMSDAKR1C2AKR1C1FOLH1NPC1
SCHEMBL4342150 0.85 ALDH1A1 (0.52) ACMSDAKR1C2AKR1C1ALDH1A1ALOX15
SCHEMBL139845 0.81 ALDH1A1 (0.59) FOLH1NPC1RAB9AALDH1A1ALOX15
SCHEMBL30047867 0.81 ALDH1A1 (0.59) FOLH1NPC1RAB9AALDH1A1ALOX15
SCHEMBL17796931 0.80 ALDH1A1 (0.48) ACMSDAKR1C2AKR1C1FOLH1NPC1
SCHEMBL3416936 0.78 SLC6A3 (0.62) AKR1C2AKR1C1ALDH1A1ALOX15HNF4A
SCHEMBL24723508 0.77 ALDH1A1 (0.48) AKR1C2AKR1C1ALDH1A1KMT2AAKR1C3
SCHEMBL17796995 0.77 ACMSD (0.53) ACMSDAKR1C2AKR1C1DHODHALDH1A1
SCHEMBL2312006 0.76 LTB4R2 (0.55) ACMSDAKR1C2AKR1C1FOLH1NPC1
SCHEMBL15917362 0.75 FEN1 (0.72)

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 ACMSD 2475/4885AKR1C2 3378/4885AKR1C1 2918/4885

“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.