SCHEMBL805437

SCHEMBL805437

Cc1ccc(C2CCC(C3CCC(N)CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
KDM1A O60341 4/20 0.45
MAOB P27338 4/20 0.45
SLC18A3 Q16572 1/20 0.40
ESR2 Q92731 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MAOA P21397 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL19033731 0.94 SPHK1 (0.51) SPHK1KDM1AMAOBSLC18A3ESR2
SCHEMBL8594527 0.94 SPHK1 (0.51) SPHK1KDM1AMAOBSLC18A3ESR2
Hydrochloric Acid SCHEMBL11831674 0.92 SPHK1 (0.50) SPHK1KDM1AMAOBSLC18A3ESR2
SCHEMBL1405569 0.82 ESR2 (0.50) SLC18A3ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL734536 0.82 MAOB (0.42) SPHK1KDM1AMAOBSLC18A3ESR2
SCHEMBL17666384 0.82 ESR2 (0.59) SLC18A3ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL12463654 0.82 MAOB (0.42) SPHK1KDM1AMAOBSLC18A3ESR2
SCHEMBL13476556 0.82 MAOB (0.42) SPHK1KDM1AMAOBSLC18A3ESR2
SCHEMBL10598069 0.82 SMN1; SMN2 (0.49) SLC18A3ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4428038 0.80 ESR2 (0.59) SLC18A3ESR2SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
WO-2023110962-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9776952-B2 Polymerisable compounds and the use thereof in liquid-crystal media and liquid-crystal displays MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-9650573-B2 Liquid crystalline medium and liquid crystal device MERCK PATENT GMBH (DE) 2017-05-16 US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 US disclosed
US-20170037316-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 US disclosed
US-20130037745-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-14 US disclosed
US-8349415-B2 Liquid-crystalline medium and liquid-crystal display having high twist MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-01-08 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-20080277623-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-7442419-B2 Comprising one or more dielectrically positive compounds having a dielectric anisotropy of more than 3; twisted Nematic (TN) or Plane Switching (IPS) type; low rotational viscosity; polycyclo cyclohexyl fluorocarbon benzyl ether derivatives, electrooptics MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-20080260971-A1 Liquid-Crystalline Medium and Liquid-Crystal Display Comprising 1,2-Difluoroethene Compounds MERCK PATENT GMBH (DE) 2008-10-23 US disclosed
US-7438956-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-7419706-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-02 US disclosed
US-7419705-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-02 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-20080128653-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-06-05 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-20070034830-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications. MERCK PATENT GMBH (DE) 2007-02-15 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 (6 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-20170037316-A1 LIQUID-CRYSTALLINE MEDIUM FES, NEFM, SOST SPHK1 3754/4885KDM1A 3440/4885MAOB 1313/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C SPHK1 2180/4885KDM1A 4007/4885MAOB 3028/4885
US-20080277623-A1 Liquid Crystalline Medium CHRM1, NEFM, CCNT1 SPHK1 2489/4885KDM1A 4274/4885MAOB 2858/4885
US-20080260971-A1 Liquid-Crystalline Medium and Liquid-Crystal Display Comprising 1,2-Difluoroethene Compounds CFL1, NEFM, CHRM1 SPHK1 1301/4885KDM1A 3955/4885MAOB 1686/4885
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, VCL, MAP1LC3C SPHK1 1594/4885KDM1A 3707/4885MAOB 2004/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK SPHK1 3150/4885KDM1A 3592/4885MAOB 255/4885

“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.