SCHEMBL172111

SCHEMBL172111

Cc1ccc(-c2ccc(C3CCC(O)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.59
SLC18A3 Q16572 1/20 0.51
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
P2RY14 Q15391 1/20 0.41
DGAT1 O75907 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
FFAR1 O14842 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL10062044 0.94 ESR2 (0.65) ESR2SLC18A3RAB9ANPC1HTT
SCHEMBL4428038 0.88 ESR2 (0.59) ESR2SLC18A3RAB9ANPC1HTT
SCHEMBL25070636 0.84 ESR2 (0.62) ESR2SLC18A3RAB9ANPC1DGAT1
SCHEMBL18509777 0.83 APP (0.48) ESR2SLC18A3RAB9ANPC1P2RY14
SCHEMBL1405569 0.82 ESR2 (0.50) ESR2SLC18A3RAB9AHTTALDH1A1
SCHEMBL7265967 0.82 NPC1 (0.65) ESR2SLC18A3RAB9ANPC1ALDH1A1
SCHEMBL11280912 0.82 ESR2 (0.59) ESR2SLC18A3RAB9ANPC1P2RY14
SCHEMBL14173678 0.81 ESR2 (0.43) ESR2SLC18A3P2RY14DGAT1CYP3A4
SCHEMBL14173384 0.80 ESR2 (0.42) ESR2SLC18A3P2RY14DGAT1ALDH1A1
SCHEMBL19403169 0.80 ESR2 (0.59) ESR2SLC18A3RAB9ANPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
EP-3980510-B1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-11-08 EP disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 US disclosed
EP-3551723-B1 ADDITIVES FOR LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2023-09-20 EP disclosed
US-11760931-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11762241-B2 Device for the regulation of light transmission MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
EP-3877485-B1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US 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
EP-2100944-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-09-16 EP disclosed
US-20090213318-A1 Liquid crystal medium and electrooptical display containing same MERCK PATENT GESELLSCHAFT (DE) 2009-08-27 US disclosed
EP-2085454-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-08-05 EP disclosed
WO-2008138456-A1 MODULATION ELEMENTS FOR ELECTROMAGNETIC RADIATION, MODULATION DEVICE AND MODULATION MEDIUM MERCK PATENT GMBH (DE) 2008-11-20 WO disclosed
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT (DE) 2008-06-26 US disclosed
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME SEKINE CHIZU 2008-06-12 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 (5 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-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 ESR2 2503/4885SLC18A3 1269/4885RAB9A 4738/4885
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS SBDS, LSS, VCL ESR2 1012/4885SLC18A3 925/4885RAB9A 1076/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 ESR2 1398/4885SLC18A3 1558/4885RAB9A 4078/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 ESR2 3456/4885SLC18A3 2741/4885RAB9A 2313/4885
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 1692/4885SLC18A3 2218/4885RAB9A 1555/4885

“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.