SCHEMBL17070652

SCHEMBL17070652

CCOc1ccc(-c2ccc(C3CCC(C)=CO3)c(F)c2F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.31
S1PR3 Q99500 2/20 0.31
FPR2 P25090 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
KDM1A O60341 2/20 0.30
ACE2 Q9BYF1 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL17070637 0.95 KDM1A (0.33) KDM1AACE2SLC6A2SLC6A4SLC6A3
SCHEMBL17070645 0.89
SCHEMBL17070644 0.84 ACE2 (0.32) KDM1AACE2FGFR2SLC6A2SLC6A4
SCHEMBL17070653 0.83 KDM1A (0.34) FPR2KDM1AFGFR1FGFR2
SCHEMBL17070658 0.83
SCHEMBL17068668 0.82 ACE2 (0.33) ACE2
SCHEMBL17070651 0.82
SCHEMBL17068710 0.80 S1PR1 (0.30) S1PR1
SCHEMBL17068592 0.79 KDM1A (0.31) KDM1A
SCHEMBL17070634 0.78 S1PR1 (0.32) S1PR1KDM1AACE2

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 S1PR1 1317/4885S1PR3 1754/4885FPR2 1315/4885

“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.