SCHEMBL1461960

SCHEMBL1461960

OB(O)c1ccc(-c2ccc(OCc3ccccc3)cc2)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.51
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LIPE Q05469 1/20 0.47
MAOB P27338 3/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
NR4A2 P43354 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
GAA P10253 3/20 0.43
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43

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
SCHEMBL10000684 0.84 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8434881 0.81 GSTP1 (0.58) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8616558 0.80 GSTP1 (0.56) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8616159 0.80 GSTP1 (0.56) GSTP1MAOBNR4A2PARP10
SCHEMBL1574932 0.79 CYP2D6 (0.44) CYP1A2CYP2C19LTA4HRAB9ASMN1; SMN2
SCHEMBL3958235 0.79 LTA4H (0.41) LMNAPTGS2MAOBLTA4HGAA
SCHEMBL8612967 0.79 GSTP1 (0.55) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8614632 0.78 GSTP1 (0.54) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8613858 0.78 GSTP1 (0.54) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL8611289 0.78 GSTP1 (0.54) GSTP1LMNACYP1A2PTGS1SLC6A2

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
EP-2483370-B1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2015-07-15 EP disclosed
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 US disclosed
EP-2483370-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2012-08-08 EP disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 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-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 GSTP1 3965/4885LMNA 273/4885CYP1A2 3864/4885

“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.