SCHEMBL171999

SCHEMBL171999

COc1ccc2cc(C3CCC(C4CCC(C)CC4)CC3)c(F)c(F)c2c1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
CHRNA7 P36544 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
SLC6A3 Q01959 1/20 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
SCHEMBL4549777 0.96 SCN9A (0.33) TSHRMAPK1SCN9ASMN1; SMN2POLB
SCHEMBL6458358 0.89 KDM1A (0.32)
SCHEMBL6458350 0.89 KDM1A (0.32)
SCHEMBL13328512 0.84 ALDH1A1 (0.37) MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL803461 0.83
SCHEMBL172469 0.82 HTR2C (0.34) TSHRMAPK1SMN1; SMN2POLBMCOLN3
SCHEMBL12018648 0.82 HTR2A (0.34) MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL13987410 0.82 ESR2 (0.34)
SCHEMBL803458 0.80 ALOX5AP (0.34)
SCHEMBL13868125 0.80 ALOX5AP (0.34)

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 18 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
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
EP-2182046-B1 Liquid-crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-03-07 EP disclosed
US-8043671-B2 Liquid-crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-25 US disclosed
EP-2041239-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-07 EP 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
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
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 TSHR 4095/4885MAPK1 2127/4885SCN9A 2292/4885
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 TSHR 3514/4885MAPK1 2001/4885SCN9A 2198/4885

“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.