SCHEMBL802682

SCHEMBL802682

Cc1ccc(-c2ccc(-c3ccc(C)c(C)c3)c(F)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
PTGS1 P23219 2/20 0.45
AKR1B10 O60218 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
PDE3B Q13370 6/20 0.40
PDE3A Q14432 6/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL27115962 0.98 PTGS2 (0.47) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL21373998 0.91 PTGS2 (0.45) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL21374000 0.91 PTGS2 (0.45) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL10018722 0.90 AKR1C3 (0.54) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL14365640 0.90 AKR1C3 (0.54) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL19912967 0.90 PTGS2 (0.50) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL21374093 0.89 PTGS2 (0.46) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL803426 0.86 PDE3B (0.48) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL26548051 0.85 PTGS2 (0.42) PTGS2AKR1C3AKR1C2PTGS1AKR1B10
SCHEMBL12889477 0.84 NFE2L2 (0.47) PTGS2AKR1C3AKR1C2PTGS1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 US disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-06-27 US disclosed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11655417-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-05-23 US disclosed
US-20180201837-A1 Method of Reducing ODF Mura in Polymer Stabilised Liquid Crystal Displays MERCK PATENT GMBH (DE) 2018-07-19 US disclosed
US-20180195003-A1 PROCESS FOR THE STABILISATION OF LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2018-07-12 US disclosed
US-20180179446-A1 LIQUID CRYSTAL MEDIUM CONTAINING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2018-06-28 US disclosed
US-20130114034-A1 LIQUID CRYSTALLINE MEDIA AND LIQUID CRYSTAL DISPLAYS WITH A POLYMER-STABILIZED HOMEOTROPIC ORIENTATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-09 US disclosed
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120224124-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 US disclosed
US-20120162595-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-06-28 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-27 US disclosed
US-20110255048-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
US-20110051049-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT (DE) 2011-03-03 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 (11 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 PTGS2 4474/4885AKR1C3 4067/4885AKR1C2 4097/4885
US-20110255048-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN PTGS2 4417/4885AKR1C3 3538/4885AKR1C2 3146/4885
US-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 PTGS2 1498/4885AKR1C3 4108/4885AKR1C2 4449/4885
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 PTGS2 3677/4885AKR1C3 3619/4885AKR1C2 3402/4885
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN PTGS2 4197/4885AKR1C3 2930/4885AKR1C2 2659/4885
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays LPXN, VCL, LCP1 PTGS2 4446/4885AKR1C3 3514/4885AKR1C2 3386/4885
US-20120224124-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS VCL, LPXN, LCP1 PTGS2 3932/4885AKR1C3 3609/4885AKR1C2 3467/4885
US-20110051049-A1 LIQUID-CRYSTAL DISPLAY VCL, LPXN, ACP3 PTGS2 4406/4885AKR1C3 3796/4885AKR1C2 3523/4885
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, VCL, MAP1LC3C PTGS2 2941/4885AKR1C3 4105/4885AKR1C2 3815/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL PTGS2 2773/4885AKR1C3 4148/4885AKR1C2 3845/4885
US-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 PTGS2 4411/4885AKR1C3 3318/4885AKR1C2 3116/4885

“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.