SCHEMBL172128

SCHEMBL172128

Cc1ccc(-c2ccc(-c3ccc(O)cc3)c(F)c2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ESR1 P03372 7/20 0.45
ESR2 Q92731 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP7 Q93009 1/20 0.41
MAOB P27338 2/20 0.40
PTGS2 P35354 2/20 0.40
RPS6KA3 P51812 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
MIF P14174 1/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.39

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
SCHEMBL172423 0.89 ACHE (0.48) ACHEMEN1KMT2APTGS2RPS6KA3
SCHEMBL17570168 0.86 ACHE (0.46) ACHEPTGS2RPS6KA3PTGS1
SCHEMBL10091341 0.85 ESR2 (0.42) ACHEESR1ESR2SENP1
SCHEMBL9419257 0.85 COMT (0.45) ACHEMEN1KMT2APTGS2RPS6KA3
SCHEMBL13680292 0.83 COMT (0.44) ACHEESR1ESR2MEN1KMT2A
SCHEMBL17506831 0.82 ESR1 (0.50) ACHEESR1ESR2RPS6KA3
SCHEMBL12012494 0.80 APP (0.53) ACHEESR1ESR2MEN1KMT2A
SCHEMBL14172913 0.80 APP (0.53) ACHEESR1ESR2MEN1KMT2A
SCHEMBL1513625 0.80 ESR1 (0.43) ESR1ESR2RPS6KA3
SCHEMBL30694739 0.80 ESR1 (0.48) ESR1ESR2CA12CA9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763569-B1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTICAL DISPLAY CONTAINING SAME MERCK PATENT GMBH (DE) 2018-01-17 EP disclosed
US-20170088776-A1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTICAL DISPLAY CONTAINING SAME MERCK PATENT GMBH (DE) 2017-03-30 US disclosed
US-9550942-B2 Liquid crystal medium and electrooptical display containing same MERCK PATENT GMBH (DE) 2017-01-24 US disclosed
US-8652353-B2 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2014-02-18 US disclosed
US-8652353-B2 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2014-02-18 US disclosed
US-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2013-01-24 US disclosed
US-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2013-01-24 US disclosed
EP-2265691-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
EP-2199362-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 US disclosed
EP-2199362-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2010-06-23 EP disclosed
WO-2010057575-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-05-27 WO disclosed
US-20100108945-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-06 US disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP disclosed
US-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
US-20090213318-A1 Liquid crystal medium and electrooptical display containing same MERCK PATENT GESELLSCHAFT (DE) 2009-08-27 US disclosed
US-7351453-B2 Mixture of polar compounds of biphenyls, cyclohexane and phenyl substituted biphenyl; fast response time, a low threshold voltage, low temperature stability MERCK PATENT GMBH (DE) 2008-04-01 US disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 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-20090309066-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications VIM, CDH1, LEF1 ACHE 1365/4885ESR1 1399/4885ESR2 1692/4885
US-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy HCN2, HCN3, HCN1 ACHE 4168/4885ESR1 1357/4885ESR2 2206/4885

“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.