SCHEMBL17847914

SCHEMBL17847914

O=C(O)CCCCCCCc1ccc(Br)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CYP1A2 P05177 2/20 0.46
DTYMK P23919 1/20 0.46
F13A1 P00488 3/20 0.45
TBXAS1 P24557 5/20 0.44
LTB4R Q15722 2/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 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
SCHEMBL14059359 0.98 MAPT (0.50) MAPTRXFP1CYP1A2DTYMKF13A1
SCHEMBL30917811 0.94 CYP1A2 (0.53) MAPTRXFP1CYP1A2DTYMKFFAR1
SCHEMBL16840963 0.94 CYP1A2 (0.53) MAPTRXFP1CYP1A2DTYMKFFAR1
SCHEMBL9247568 0.87 FFAR1 (0.55) FFAR1FFAR4
SCHEMBL30816271 0.87 FFAR1 (0.55) FFAR1FFAR4
SCHEMBL10277036 0.85 MAPT (0.58) MAPTRXFP1CYP1A2F13A1TBXAS1
SCHEMBL14555727 0.85 IGF1R (0.40) HDAC1HDAC8
SCHEMBL29331986 0.85 IGF1R (0.40) HDAC1HDAC8
SCHEMBL30428461 0.83 MAPT (0.55) MAPTRXFP1CYP1A2F13A1TBXAS1
SCHEMBL16582468 0.82 PDE3B (0.46) HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107109221-B Bimesogenic compounds and mesogenic media 默克专利股份有限公司 2021-03-12 CN disclosed
US-10392561-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
US-10392561-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
EP-3234065-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-09-26 EP disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
EP-3234065-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA Merck Patent GmbH (DE) 2017-10-25 EP disclosed
WO-2016096112-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
WO-2016096112-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 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-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MAPT 1228/4885RXFP1 368/4885CYP1A2 2116/4885
US-10392561-B2 Bimesogenic compounds and mesogenic media SP1, FOXM1, S100A11 MAPT 1228/4885RXFP1 368/4885CYP1A2 2116/4885

“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.