SCHEMBL4549765

SCHEMBL4549765

Cc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
APP P05067 2/20 0.36
FASN P49327 1/20 0.35
SLC18A3 Q16572 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 2/20 0.33
PKM P14618 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL25921558 0.93 CYP3A4 (0.39) ESR2CYP3A4CYP2C9APPSLC18A3
SCHEMBL14074148 0.92 ESR2 (0.44) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL21741409 0.91 ESR2 (0.38) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL802765 0.89 ESR2 (0.46) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL20428180 0.89 FASN (0.42) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL12658807 0.88 ESR2 (0.45) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL15445840 0.88 ESR2 (0.45) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL19228919 0.87 ESR2 (0.47) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL19146273 0.87 ESR2 (0.47) ESR2CYP3A4CYP2C9APPFASN
SCHEMBL21609915 0.87 CYP3A4 (0.46) CYP3A4CYP2C9APPSLC18A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11739266-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-29 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-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 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-20230159825-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-25 US disclosed
US-11655417-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-05-23 US disclosed
EP-3587536-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-03-24 EP disclosed
EP-3353261-B1 METHOD OF CONTROLLING THE PRETILT ANGLE IN POLYMER STABILISED LIQUID CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-05-27 EP disclosed
EP-3119854-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-02-05 EP disclosed
EP-2182046-A1 Liquid-crystalline medium and liquid crystal display Merck Patent GmbH (DE) 2010-05-05 EP disclosed
US-20090309066-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 GESELLSCHAFT (DE) 2009-12-17 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed
WO-2009115186-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2009-09-24 WO disclosed
US-7582337-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-09-01 US disclosed
US-20080315157-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 GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20080315157-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 GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 WO 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 (3 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 ESR2 4146/4885CYP3A4 1699/4885CYP2C9 1741/4885
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays LPXN, VCL, LCP1 ESR2 2906/4885CYP3A4 3367/4885CYP2C9 3437/4885
US-20090309066-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 VIM, CDH1, LEF1 ESR2 1692/4885CYP3A4 3869/4885CYP2C9 4557/4885

“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.