SCHEMBL17847899

SCHEMBL17847899

C=CCCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.52
ESR2 Q92731 3/20 0.52
CA2 P00918 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ADRA2A P08913 3/20 0.45
SLC6A2 P23975 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTR1A P08908 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
BACE1 P56817 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 1/20 0.43
OPRM1 P35372 2/20 0.41

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
SCHEMBL109430 0.94 ESR1 (0.59) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL8973352 0.91 ESR1 (0.64) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL8854472 0.89 HRH3 (0.41) ESR1ESR2ALDH1A1TAAR1TP53
SCHEMBL19197312 0.83 MKNK1 (0.40) CA2HDAC2LTA4HPTGS1
SCHEMBL19864901 0.83 APP (0.41) ESR1ESR2CA2ALDH1A1CYP2C19
SCHEMBL9004469 0.82 GFER (0.36) ESR1ESR2CA2ALDH1A1KDM4E
SCHEMBL8857437 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ATP53CYP3A4
SCHEMBL109815 0.81 ESR1 (0.54) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL10639413 0.81 FFAR1 (0.48) HDAC2ALDH1A1TAAR1LMNAPTGS1
SCHEMBL8973350 0.80 ESR1 (0.55) ESR1ESR2CA2ALDH1A1ADRA2A

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 ESR1 2231/4885ESR2 1738/4885CA2 652/4885
US-10392561-B2 Bimesogenic compounds and mesogenic media SP1, FOXM1, S100A11 ESR1 2231/4885ESR2 1738/4885CA2 652/4885

“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.