SCHEMBL10024813

SCHEMBL10024813

PCCCC1COc2ccc3c(c2-c2c(ccc4c2CCCC4)OC1)CCCC3

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 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
SCHEMBL16922987 0.83 MTNR1A (0.34) CES1MTNR1AMTNR1B
SCHEMBL10024811 0.74 CES1 (0.37) CES1MTNR1AMTNR1B
SCHEMBL17173613 0.74 CES1 (0.36) CES1MTNR1AMTNR1B
SCHEMBL17173624 0.74 KMT2A (0.33) MTNR1AMTNR1B
SCHEMBL17173552 0.71 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL17173549 0.71 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL14204843 0.70 CES1 (0.40) CES1MTNR1AMTNR1B
SCHEMBL17173551 0.69 CYP2C9 (0.41) MTNR1AMTNR1B
SCHEMBL18116178 0.68 CYP2C9 (0.31) MTNR1AMTNR1B
SCHEMBL17173593 0.68 CES1 (0.33) CES1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180195003-A1 PROCESS FOR THE STABILISATION OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2018-07-12 US disclosed
US-20180119010-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
US-9347002-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-05-24 US disclosed
US-9212311-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-12-15 US disclosed
US-9090823-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9005721-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9005720-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-8999459-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-04-07 US disclosed
US-20140240653-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-08-28 US disclosed
US-20140152922-A1 LIQUID CRYSTAL DISPLAY AND METHOD OF MANUFACTURING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-05 US disclosed
US-20140028964-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-01-30 US disclosed
US-20140022473-A1 Liquid-crystal display MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20130306910-A1 Liquid Crystal Display MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-8585925-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2013-11-19 US disclosed
US-20130183460-A1 LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20120162595-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-06-28 US disclosed
US-20120032112-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-02-09 US disclosed
US-20110255048-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
US-20100304049-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-02 US disclosed
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT (DE) 2010-10-28 US 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-20110255048-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN CES1 4416/4885MTNR1A 4478/4885MTNR1B 4664/4885
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN CES1 3952/4885MTNR1A 4190/4885MTNR1B 4372/4885

“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.