SCHEMBL14211802

SCHEMBL14211802

CCC=CCOc1ccc(C)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
RAB9A P51151 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
SCHEMBL26796924 1.00 CTSL (0.31) CTSLCTSSCTSKMRGPRX4RAB9A
SCHEMBL26769804 0.87 L3MBTL1 (0.37) CTSLCTSSCTSK
SCHEMBL20121313 0.84 AKR1C3 (0.32) MRGPRX4
SCHEMBL14211799 0.84 AKR1C3 (0.32) MRGPRX4
SCHEMBL18509333 0.81 CYP1A2 (0.39) CTSLCTSSCTSKRAB9A
SCHEMBL26769871 0.81 ALDH1A1 (0.38) CTSLCTSSCTSK
SCHEMBL26769845 0.81 CYP1A2 (0.39) CTSLCTSSCTSKRAB9A
SCHEMBL17770803 0.81
SCHEMBL16852388 0.80 FFAR4 (0.35) CTSLCTSSCTSK
SCHEMBL14289248 0.79 L3MBTL1 (0.41) MRGPRX4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9982194-B2 Liquid-crystalline media MERECK PATENT GMBH (DE) 2018-05-29 US disclosed
US-20180119010-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
US-20170306232-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-9777216-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-10-03 US disclosed
US-20170044436-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
US-20160208170-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-07-21 US disclosed
US-9347002-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-05-24 US disclosed
US-20150203758-A1 LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150036095-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-02-05 US disclosed
US-20140028964-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-01-30 US disclosed
US-20130207038-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130183460-A1 LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20120305843-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 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-20160208170-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG CTSL 200/4885CTSS 141/4885CTSK 630/4885
US-20120305843-A1 LIQUID CRYSTALLINE MEDIUM NEFM, VIM, PLG CTSL 84/4885CTSS 72/4885CTSK 446/4885

“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.