SCHEMBL17070628

SCHEMBL17070628

CC1=COC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
TDO2 P48775 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
KDM1A O60341 2/20 0.33
GRIA4 P48058 1/20 0.33
MAOB P27338 1/20 0.33
CHRNB2 P17787 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL17070860 0.82
SCHEMBL17070636 0.81 KDM1A (0.51) SLC6A2SLC6A3SLC6A4KDM1A
SCHEMBL17070859 0.79
SCHEMBL17070858 0.76
SCHEMBL17068451 0.75 GCGR (0.33) HTR2AHTR2CHTR2BKDM1A
SCHEMBL17070808 0.74
SCHEMBL248563 0.69 HTR2A (0.47) IDO1TDO2HTR2AHTR2CHTR2B
SCHEMBL15196460 0.69 HTR2A (0.47) IDO1TDO2HTR2AHTR2CHTR2B
SCHEMBL808678 0.69 HTR2A (0.47) IDO1TDO2HTR2AHTR2CHTR2B
SCHEMBL29478276 0.69 HTR2A (0.47) IDO1TDO2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-09-10 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-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CNKSR1, DRG1 IDO1 689/4885TDO2 351/4885HTR2A 744/4885

“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.