SCHEMBL4549782

SCHEMBL4549782

COc1cc2c(c(F)c1F)CC(C1CCC(C)CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
DRD2 P14416 6/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
HTR1A P08908 6/20 0.32
ADRA1A P35348 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ACHE P22303 1/20 0.31
DRD1 P21728 2/20 0.31

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
SCHEMBL803221 0.81
SCHEMBL18088055 0.80 CHRM2 (0.34) ATMDRD2DRD3HTR1ACHRM2
SCHEMBL10067105 0.80 DRD2 (0.33) DRD2DRD1
SCHEMBL23846212 0.77 HTR1D (0.33)
SCHEMBL15682090 0.77 ADRA1A (0.35) ATMDRD2DRD3DRD4ADRA1A
SCHEMBL13328555 0.73 TLR4 (0.34) ACHE
SCHEMBL15682114 0.71 DRD2 (0.31) ATMDRD2DRD3DRD4ADRA1A
SCHEMBL18137124 0.71
SCHEMBL18137136 0.71
SCHEMBL15682096 0.70 ALDH1A1 (0.35) DRD2DRD3DRD4ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362506-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-12-21 US disclosed
US-9835890-B2 Liquid crystal display MERCK PATENG GMBH (DE) 2017-12-05 US disclosed
US-20170335194-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-9737854-B2 Process for the purification of a liquid-crystal mixture MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9714381-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-07-25 US disclosed
US-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-20170044436-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-9567285-B2 Polymerisable compounds and the use thereof in liquid-crystal media and liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-9556382-B2 Polymerisable mixtures and the use thereof in liquid crystal displays MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
US-20110101270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 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-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-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 ATM 523/4885DRD2 1605/4885DRD3 1190/4885
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 ATM 3346/4885DRD2 2150/4885DRD3 1910/4885

“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.