SCHEMBL17070700

SCHEMBL17070700

CCOc1ccc(C2=COC(C)CC2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.31
S1PR1 P21453 2/20 0.31
FPR2 P25090 1/20 0.31
KDM1A O60341 2/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL18015237 0.82 KDM1A (0.33) FPR2KDM1A
SCHEMBL17070649 0.81 KDM1A (0.32) FPR2KDM1A
SCHEMBL17070646 0.77 GRM2 (0.34) S1PR1FPR2KDM1A
SCHEMBL18015203 0.76 NOTUM (0.31) NOTUMFPR2KDM1APDE3BPDE3A
SCHEMBL17070876 0.74
SCHEMBL17068504 0.74 CYP1A2 (0.31)
SCHEMBL17070721 0.72 CPS1 (0.35)
SCHEMBL17070702 0.72 KDM1A (0.42) KDM1A
SCHEMBL17070698 0.72
SCHEMBL18374891 0.72 CYP1A2 (0.44) NOTUMKDM1A

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 NOTUM 4534/4885S1PR1 1317/4885FPR2 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.