SCHEMBL4549777

SCHEMBL4549777

COc1ccc2cc(C3CCC(C)CC3)c(F)c(F)c2c1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTR2C P28335 2/20 0.31
NR3C1 P04150 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
PIN1 Q13526 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
ADRA1A P35348 2/20 0.30

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
SCHEMBL171999 0.96 TSHR (0.32) SCN9ASLC6A2SLC6A4SLC6A3CYP17A1
SCHEMBL6458350 0.87 KDM1A (0.32)
SCHEMBL6458358 0.87 KDM1A (0.32)
SCHEMBL12018648 0.85 HTR2A (0.34) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL13328593 0.83 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL803460 0.81 ESR2 (0.31)
SCHEMBL170527 0.81 HTR2C (0.37) SLC6A2SLC6A4SLC6A3HTR2CNR3C1
SCHEMBL13328512 0.80 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10067458 0.80 ESR2 (0.37)
SCHEMBL8932574 0.79 PSMB5 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
EP-2239310-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 US disclosed
US-8168081-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-01 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
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 EP 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
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-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES SCN9A 2292/4885SLC6A2 1993/4885SLC6A4 1127/4885
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 SCN9A 2198/4885SLC6A2 4226/4885SLC6A4 4232/4885

“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.