SCHEMBL91862

SCHEMBL91862

Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP2A6 P11509 1/20 0.53
KIF11 P52732 3/20 0.53
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
AR P10275 1/20 0.44
KDM1A O60341 6/20 0.43
MAPKAPK2 P49137 1/20 0.42
CYP11B2 P19099 3/20 0.41
CYP11B1 P15538 2/20 0.41
PDK2 Q15119 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL91992 1.00 ALDH1A1 (0.53) ALDH1A1CYP2A6KIF11PDE3BPDE3A
SCHEMBL19608729 0.92 ALDH1A1 (0.50) ALDH1A1CYP2A6KIF11PDE3BPDE3A
SCHEMBL397141 0.91 KIF11 (0.61) KIF11PDE3BPDE3ACYP11B2CYP11B1
SCHEMBL91880 0.90 ALDH1A1 (0.52) ALDH1A1CYP2A6KIF11PDE3BPDE3A
SCHEMBL28428605 0.90 ALDH1A1 (0.52) ALDH1A1CYP2A6KIF11PDE3BPDE3A
SCHEMBL16945886 0.86 AR (0.48) ALDH1A1CYP2A6KIF11PDE3BPDE3A
SCHEMBL170435 0.86 PDE3B (0.49) PDE3BPDE3AARPDK2
SCHEMBL16945958 0.85 KIF11 (0.47) ALDH1A1CYP2A6KIF11PDE3BPDE3A
SCHEMBL19308493 0.85 KIF11 (0.54) KIF11PDE3BPDE3ACYP11B2CYP11B1
SCHEMBL15834358 0.85 KIF11 (0.54) KIF11PDE3BPDE3AKDM1ACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913896-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-02-09 US disclosed
EP-2894148-B1 NOVEL SMECTIC PHASE A LIQUID CRYSTAL MATERIAL HALATION PHOTONICS CORP (CN) 2019-04-03 EP disclosed
EP-2799516-B1 LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF HALATION PHOTONICS CORP (CN) 2019-02-20 EP 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-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-9175220-B2 High scattering smectic liquid crystal material and display device using the same HALATION PHOTONICS CORPORATION (CN) 2015-11-03 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 (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-20150323722-A1 REACTIVE MESOGENS BLM, MAFG, MCRS1 ALDH1A1 4654/4885CYP2A6 3230/4885KIF11 811/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK ALDH1A1 2978/4885CYP2A6 2777/4885KIF11 330/4885

“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.