SCHEMBL170527

SCHEMBL170527

COc1ccc(C2CCC(C)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
USP30 Q70CQ3 1/20 0.36
PDE5A O76074 1/20 0.35
ADRA1A P35348 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ESR2 Q92731 1/20 0.34
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL172469 0.95 HTR2C (0.34) HTR2CUSP30PDE5AADRA1ATAS1R3
SCHEMBL16922997 0.94 ALOX5AP (0.36) HTR2CUSP30ALOX5APFEN1
SCHEMBL10035142 0.94 ALOX5AP (0.36) HTR2CUSP30ALOX5APFEN1
SCHEMBL12994249 0.93 HTR2C (0.41) HTR2CUSP30PDE5AADRA1AALOX5AP
SCHEMBL18808073 0.91 USP30 (0.36) HTR2CUSP30PDE5ATAS1R3TAS1R1
SCHEMBL803458 0.90 ALOX5AP (0.34) USP30ALOX5APFEN1
SCHEMBL13868125 0.90 ALOX5AP (0.34) USP30ALOX5APFEN1
SCHEMBL12999898 0.90 ALOX5AP (0.41) ALOX5APFEN1
SCHEMBL18435813 0.87 HTR2C (0.33) HTR2CUSP30PDE5AALOX5APFEN1
SCHEMBL20850068 0.87 HTR2C (0.35) HTR2CUSP30ADRA1ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
EP-4306615-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 EP disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
EP-4273207-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-11-08 EP disclosed
EP-3679111-B1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-11-01 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
WO-2009033564-A2 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
US-20080308768-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080177095-A1 FUROCHROMAN DERIVATIVES MERCK PATENT GMBH (DE) 2008-07-24 US disclosed
US-20080090026-A1 Liquid-crystal display MERCK PATENT GMBH 2008-04-17 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 (4 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-20080177095-A1 FUROCHROMAN DERIVATIVES CFD, LMAN1, UROD HTR2C 1360/4885USP30 4826/4885PDE5A 2975/4885
US-20080090026-A1 Liquid-crystal display KLK3, LPXN, BPHL HTR2C 1738/4885USP30 2486/4885PDE5A 366/4885
US-20090023802-A1 Benzochromene Derivatives SBDS, CRY1, DDT HTR2C 615/4885USP30 4733/4885PDE5A 2919/4885
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 HTR2C 805/4885USP30 4856/4885PDE5A 3598/4885

“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.