SCHEMBL91990

SCHEMBL91990

Cc1ccc(-c2ccc(C#CC#N)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 19/20 0.48
CYP11B2 P19099 19/20 0.48
AR P10275 1/20 0.47

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
SCHEMBL12012339 0.82 CYP11B1 (0.66) CYP11B1CYP11B2AR
SCHEMBL91991 0.81 CYP11B1 (0.39) CYP11B1CYP11B2AR
SCHEMBL12011040 0.79 CYP11B1 (0.43) CYP11B1CYP11B2AR
SCHEMBL4567614 0.79 CYP11B1 (0.57) CYP11B1CYP11B2AR
SCHEMBL23510030 0.77 CYP11B1 (0.46) CYP11B1CYP11B2AR
SCHEMBL25573564 0.75 CYP11B1 (0.40) CYP11B1CYP11B2AR
SCHEMBL23509933 0.75 CYP11B1 (0.40) CYP11B1CYP11B2AR
SCHEMBL15786642 0.75 CYP11B1 (0.57) CYP11B1CYP11B2AR
SCHEMBL20005190 0.74 CYP11B1 (0.40) CYP11B1CYP11B2AR
SCHEMBL25573723 0.74 CYP11B1 (0.56) CYP11B1CYP11B2AR

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-20210115337-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20130193376-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-08-01 US disclosed
US-8409469-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8333906-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20120012785-A1 Liquid Crystal System And Liquid Crystal Display SCHOTT CECILE (TW) 2012-01-19 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20100258763-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY SCHOTT CECILE 2010-10-14 US disclosed
US-7794621-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2010-09-14 US disclosed
US-20090267025-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-29 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 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 (1 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-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK CYP11B1 684/4885CYP11B2 609/4885AR 2732/4885

“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.