SCHEMBL4944926

SCHEMBL4944926

CCCC1CCC(C2CCc3ccc(F)cc3O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
FFAR1 O14842 1/20 0.37
CHRNA7 P36544 2/20 0.36
AKR1B1 P15121 1/20 0.34
CHRM1 P11229 2/20 0.33
MLNR O43193 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD2 P14416 1/20 0.33
KCNE1 P15382 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 1/20 0.33
HTR2A P28223 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
SCHEMBL14070987 0.87 STS (0.39) FFAR1CHRNA7AKR1B1CHRM1MLNR
SCHEMBL14071024 0.85 STS (0.38) FFAR1CHRNA7AKR1B1CHRM1MLNR
SCHEMBL14079534 0.84 STS (0.33) CHRNA7STS
SCHEMBL14071455 0.81 TLR4 (0.32) CHRNA7STS
SCHEMBL14071481 0.80 TLR4 (0.34) CHRNA7STS
SCHEMBL14071454 0.80 STS (0.33) CHRNA7STS
SCHEMBL14070963 0.80 STS (0.46) FFAR1CHRNA7AKR1B1CHRM1MLNR
SCHEMBL14070908 0.79 STS (0.48) FFAR1CHRNA7AKR1B1CHRM1MLNR
SCHEMBL14071482 0.79 TLR4 (0.33) STS
SCHEMBL14071450 0.79 PKM (0.31) STS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
EP-1491612-B1 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORP (JP) 2006-10-18 EP disclosed
US-20050247910-A1 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition JNC PETROCHEMICAL CORPORATION (JP) 2005-11-10 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 (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-20050247910-A1 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition RB1, RCC1, CDYL HTR1D 193/4885HTR1B 1512/4885FFAR1 3021/4885

“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.