SCHEMBL13624599

SCHEMBL13624599

Fc1ccc(-c2ccc(Cc3ccc(-c4ccc(F)cc4)c(F)c3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
GRM2 Q14416 3/20 0.42
CHKA P35790 1/20 0.42
HTR2A P28223 1/20 0.41
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
FDFT1 P37268 1/20 0.40
PTGS1 P23219 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CNR1 P21554 1/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PTGS2 P35354 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL17900079 0.84 MAOB (0.41) MAOBGRM2CHKAHTR2AAPP
SCHEMBL19651371 0.84 FDFT1 (0.47) MAOBGRM2CHKAHTR2AAPP
SCHEMBL16848654 0.82 RARB (0.51) MAOBGRM2CHKAHTR2AAPP
SCHEMBL16848650 0.82 RARB (0.51) MAOBGRM2CHKAHTR2AAPP
SCHEMBL17855855 0.82 CHKA (0.35) MAOBGRM2CHKAHTR2AAPP
SCHEMBL16748099 0.81 CYP17A1 (0.57) GRM2CHKACYP3A4PDE3BPDE3A
SCHEMBL16922714 0.81 APP (0.53) MAOBGRM2APPTAAR1
SCHEMBL19993271 0.80 PTGS1 (0.38) MAOBGRM2APPCYP3A4TAAR1
SCHEMBL16941050 0.80 PTGS1 (0.46) MAOBGRM2TAAR1PTGS1PDE3B
SCHEMBL9057929 0.80 ALDH1A1 (0.52) GRM2HTR2AAPPCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512920-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20180188586-A1 PROCESS OF PREPARING A LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-07-05 US disclosed
US-20180187081-A1 PROCESS OF PREPARING A LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-07-05 US disclosed
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed
US-20180016499-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-01-18 US disclosed
US-20180004045-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-01-04 US disclosed
US-20170357131-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
WO-2016096081-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-7623214-B2 Liquid crystal materials DOW CORNING CORPORATION (US) 2009-11-24 US disclosed
US-20090115957-A1 Liquid crystal materials DOW SILICONES CORPORATION 2009-05-07 US 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-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 MAOB 2561/4885GRM2 133/4885CHKA 3503/4885

“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.