SCHEMBL6910065

SCHEMBL6910065

CCCCC[C@H]1CC[C@H](C2CCC(=O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
TLR4 O00206 3/20 0.41
PKM P14618 1/20 0.39
CCR2 P41597 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL1255189 1.00 CYP1A2 (0.46) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL13378068 1.00 CYP1A2 (0.46) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL2892324 1.00 CYP1A2 (0.46) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL10860323 0.98 CYP1A2 (0.45) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL10862180 0.98 CYP1A2 (0.45) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL10862187 0.98 CYP1A2 (0.45) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL10860316 0.98 CYP1A2 (0.45) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL19722190 0.98 CYP1A2 (0.45) CYP1A2TLR4PKMCCR2MEN1
SCHEMBL7782150 0.94 CYP1A2 (0.47) CYP1A2TLR4PKMCCR2HTT
SCHEMBL6752745 0.94 CYP1A2 (0.47) CYP1A2TLR4PKMCCR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961030-B Method for catalytic synthesis of 4- (trans-4-alkyl cyclohexyl) cyclohexanone 惠泽化学科技(濮阳)有限公司 2023-09-26 CN disclosed
CN-112961030-A Method for catalytic synthesis of 4- (trans-4-alkylcyclohexyl) cyclohexanone 惠泽化学科技(濮阳)有限公司 2021-06-15 CN disclosed
US-10023800-B2 Composition for manufacturing optical elements with negative optical dispersion, and optically anisotropic body manufactured therefrom LG CHEM, LTD. (KR) 2018-07-17 US disclosed
EP-3053909-B1 INVERSE-WAVELENGTH DISPERSIBLE COMPOUND, AND INVERSE-WAVELENGTH DISPERSIBLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY COMPRISING SAME LG CHEMICAL LTD (KR) 2018-01-31 EP disclosed
US-9850196-B2 Compounds having negative optical dispersion, negative optical dispersion composition comprising the compounds, and optically anisotropic body comprising the composition LG CHEM, LTD. (KR) 2017-12-26 US disclosed
US-9505979-B2 Polymerizable liquid crystal compounds, liquid crystal composition comprising the compounds, and optical film comprising the composition LG CHEM, LTD. (KR) 2016-11-29 US disclosed
EP-3053909-A1 INVERSE-WAVELENGTH DISPERSIBLE COMPOUND, AND INVERSE-WAVELENGTH DISPERSIBLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY COMPRISING SAME LG Chem, Ltd. (KR) 2016-08-10 EP disclosed
US-20160208171-A1 COMPOSITION FOR MANUFACTURING OPTICAL ELEMENTS WITH NEGATIVE OPTICAL DISPERSION, AND OPTICALLY ANISOTROPIC BODY MANUFACTURED THEREFROM LG CHEM, LTD. (KR) 2016-07-21 US disclosed
US-20160200662-A1 COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 US disclosed
US-20160200977-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICAL FILM COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 US disclosed
US-4617141-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1986-10-14 US disclosed
EP-0084974-B1 CARBOCYCLIC COMPOUNDS WITH LIQUID-CRYSTAL PROPERTIES Chisso Corporation (JP) 1986-04-02 EP disclosed
US-4548731-A LIQUID CRYSTALS DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1985-10-22 US disclosed
EP-0096850-B1 TRANS-4-ALKYLOXYMETHYL-1-(4'-SUBSTITUTED BIPHENYLYL-4)CYCLOHEXANES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1985-09-25 EP disclosed
US-4522741-A Trans-4-alkyloxymethyl-1-(4'-substituted biphenylyl-4)cyclohexanes CHISSO CORPORATION (JP) 1985-06-11 US disclosed
US-4510069-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-09 US disclosed
US-4477369-A New high temperature liquid-crystalline substances consisting of 4 or 5 six-member-rings and liquid-crystalline compositions containing same CHISSO CORPORATION (JP) 1984-10-16 US disclosed
EP-0107759-A2 Cyclohexane derivatives and their use as components for liquid crystals MERCK PATENT GmbH (DE) 1984-05-09 EP disclosed
EP-0096850-A1 Trans-4-alkyloxymethyl-1-(4'-substituted biphenylyl-4)cyclohexanes and liquid crystal compositions containing the same Chisso Corporation (JP) 1983-12-28 EP disclosed
EP-0084974-A1 Carbocyclic compounds with liquid-crystal properties Chisso Corporation (JP) 1983-08-03 EP 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 (1 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-20160200662-A1 COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended) ZW10, OCIAD2, INF2 CYP1A2 2076/4885TLR4 3540/4885PKM 3061/4885

“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.