SCHEMBL17443554

SCHEMBL17443554

Fc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.56
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
ALOX5 P09917 1/20 0.50
TOP1 P11387 1/20 0.50
MAOB P27338 7/20 0.49
MAOA P21397 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR4A2 P43354 1/20 0.47
GPR34 Q9UPC5 1/20 0.46

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
SCHEMBL8616016 0.88 GSTP1 (0.54) GSTP1S1PR1S1PR3ALOX5TOP1
SCHEMBL16841041 0.88 MAOB (0.51) MAOBMAOAMEN1KMT2A
SCHEMBL8612150 0.88 GPR34 (0.53) GSTP1S1PR1S1PR3MAOBMRGPRX4
SCHEMBL8613938 0.87 GSTP1 (0.52) GSTP1S1PR1S1PR3ALOX5TOP1
SCHEMBL8613447 0.87 MAOB (0.55) GSTP1S1PR1S1PR3ALOX5TOP1
SCHEMBL8616956 0.86 FFAR1 (0.48) GSTP1S1PR1S1PR3TOP1MAOB
SCHEMBL8612975 0.86 GSTP1 (0.51) GSTP1S1PR1S1PR3ALOX5TOP1
SCHEMBL8612221 0.85 MAOB (0.50) ALOX5TOP1MAOBMAOANR4A2
SCHEMBL8614759 0.84 GSTP1 (0.49) GSTP1S1PR1S1PR3ALOX5TOP1
SCHEMBL8612156 0.84 GSTP1 (0.49) GSTP1S1PR1S1PR3ALOX5TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450508-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
US-10450508-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
EP-3169749-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-12-26 EP disclosed
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
EP-3169749-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA Merck Patent GmbH (DE) 2017-05-24 EP disclosed
WO-2016008561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-01-21 WO disclosed
WO-2016008561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-01-21 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 (2 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-10450508-B2 Bimesogenic compounds and mesogenic media SP1, FOXM1, S100A11 GSTP1 4122/4885S1PR1 1195/4885S1PR3 1861/4885
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 GSTP1 4167/4885S1PR1 1136/4885S1PR3 1795/4885

“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.