SCHEMBL17070622

SCHEMBL17070622

CC1CCC(c2ccc(F)c(F)c2)=CO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
GRM2 Q14416 2/20 0.34
PGR P06401 5/20 0.33
CREBBP Q92793 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B2 P19099 1/20 0.32
PTGS1 P23219 3/20 0.32
ARNT P27540 1/20 0.30
EPAS1 Q99814 1/20 0.30
NOTUM Q6P988 1/20 0.30
NPY5R Q15761 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
SCHEMBL17070631 0.86 ANPEP (0.31) PTGS2
SCHEMBL17070632 0.84 GRM2 (0.33) GRM2
SCHEMBL17070702 0.81 KDM1A (0.42) PTGS2GRM2PTGS1
SCHEMBL17070627 0.78
SCHEMBL17070749 0.76 GRM2 (0.39) GRM2
SCHEMBL17068427 0.75 CYP1A2 (0.38) GRM2CYP11B2NPY5R
SCHEMBL17070750 0.74 DGAT1 (0.35) GRM2
SCHEMBL17070630 0.74
SCHEMBL28205092 0.70 RAB9A (0.35) PTGS2PGRCYP17A1CYP3A4CYP11B2
SCHEMBL17070811 0.69 TUBB1 (0.30)

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 PTGS2 1268/4885GRM2 1891/4885PGR 2252/4885

“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.