SCHEMBL4342153

SCHEMBL4342153

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.35
CES2 O00748 1/20 0.34
GALR3 O60755 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL4354113 0.85 KDM4E (0.44) DGAT1ALDH1A1LMNAKMT2AHPGD
SCHEMBL321094 0.74 DGAT1 (0.66) DGAT1ALDH1A1NPC1LMNAGAA
SCHEMBL31173096 0.72 HPGD (0.50) DGAT1ALDH1A1NPC1LMNAGAA
SCHEMBL29401981 0.71 ALDH1A1 (0.52) DGAT1ALDH1A1NPC1LMNAGAA
SCHEMBL181200 0.71 ALDH1A1 (0.52) DGAT1ALDH1A1NPC1LMNAGAA
SCHEMBL6862035 0.70 FLT1 (0.46) DGAT1ALDH1A1NPC1LMNAGAA
SCHEMBL257466 0.69 FLT1 (0.49) DGAT1ALDH1A1NPC1LMNAGAA
SCHEMBL12198995 0.69 ALOX5AP (0.45) DGAT1ALDH1A1LMNAKMT2AHPGD
SCHEMBL30665731 0.69 ALOX5AP (0.45) DGAT1ALDH1A1LMNAKMT2AHPGD
SCHEMBL30526110 0.69 FLT1 (0.49) DGAT1ALDH1A1NPC1LMNAGAA

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 DGAT1 4596/4885ALDH1A1 4413/4885NPC1 4568/4885

“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.