SCHEMBL10062044

SCHEMBL10062044

Cc1ccc(C2CCC(O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.65
SLC18A3 Q16572 1/20 0.56
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ESR1 P03372 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 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
SCHEMBL4428038 0.94 ESR2 (0.59) ESR2SLC18A3RAB9AHTTALDH1A1
SCHEMBL172111 0.94 ESR2 (0.59) ESR2SLC18A3RAB9AHTTALDH1A1
SCHEMBL1405569 0.88 ESR2 (0.50) ESR2SLC18A3RAB9AHTTALDH1A1
Bicarbonate SCHEMBL1720129 0.82 NPC1 (0.48) ESR2SLC18A3RAB9AALDH1A1CYP3A4
SCHEMBL12675264 0.82 ESR2 (0.69) ESR2CYP3A4CYP2C9ESR1
SCHEMBL14173678 0.79 ESR2 (0.43) ESR2SLC18A3CYP3A4CYP2C9
SCHEMBL24597681 0.79 ESR2 (0.65) ESR2SLC18A3RAB9AHTTALDH1A1
SCHEMBL605342 0.79 ESR2 (1.00) ESR2CYP3A4CYP2C9ESR1
SCHEMBL19937427 0.79 ESR2 (0.65) ESR2SLC18A3RAB9AHTTALDH1A1
SCHEMBL19294268 0.79 SLC18A3 (0.44) ESR2SLC18A3RAB9AHTTALDH1A1

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 103 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
US-11762241-B2 Device for the regulation of light transmission MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11760931-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-09-19 US disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-03-02 US disclosed
US-20230056437-A1 AZO DYE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
EP-1932896-B1 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GMBH (DE) 2010-10-27 EP disclosed
WO-2010089092-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-08-12 WO disclosed
US-7732022-B2 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US 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
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
WO-2007017008-A1 ELECTRO-OPTICAL LIGHT MODULATION ELEMENT, DISPLAY AND MEDIUM MERCK PATENT GMBH (DE) 2007-02-15 WO disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 US disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 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 (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-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 ESR2 2503/4885SLC18A3 1269/4885RAB9A 4738/4885
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY CXCR1, PYM1, F11 ESR2 2704/4885SLC18A3 4212/4885RAB9A 3183/4885
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS SBDS, LSS, VCL ESR2 1012/4885SLC18A3 925/4885RAB9A 1076/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 ESR2 3456/4885SLC18A3 2741/4885RAB9A 2313/4885

“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.