SCHEMBL17070656

SCHEMBL17070656

CCOc1ccc(OCC2CCC(C3CCC(C)=CO3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
GRM2 Q14416 2/20 0.32
PDE4B Q07343 5/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
RIPK1 Q13546 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL17070660 0.85
SCHEMBL17068679 0.82 HTR2A (0.31) HTR2CHTR2AHTR2B
SCHEMBL18015226 0.78 HTR2A (0.36) HTR2CHTR2AHTR2BPDE4BRIPK1
SCHEMBL17068720 0.77
SCHEMBL16769032 0.76 HTR2C (0.38) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL16769031 0.76 HTR2A (0.38) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL12366408 0.76 HTR2A (0.38) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL12759143 0.76 HTR2C (0.35) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL21609932 0.75 APOBEC3G (0.38) HTR2CHTR2AHTR2BPDE4BPDE4A
SCHEMBL18626141 0.75 ALDH1A1 (0.39) HTR2CHTR2AHTR2BPDE4BPDE4A

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 HTR2C 651/4885HTR2A 744/4885HTR2B 2159/4885

“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.