SCHEMBL17070702

SCHEMBL17070702

CCOc1ccc(C2=COC(C)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
NAAA Q02083 1/20 0.39
TUBB1 Q9H4B7 1/20 0.34
PTGS2 P35354 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
FAAH O00519 1/20 0.33
PTGS1 P23219 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 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
SCHEMBL17070646 0.84 GRM2 (0.34) KDM1AMAPTPOLBTP53GRM2
SCHEMBL17068525 0.81 KDM1A (0.38) KDM1ANAAATUBB1PTGS2CCNT1
SCHEMBL17070622 0.81 PTGS2 (0.34) PTGS2PTGS1GRM2
SCHEMBL18015237 0.79 KDM1A (0.33) KDM1ATSHR
SCHEMBL17070649 0.78 KDM1A (0.32) KDM1A
SCHEMBL17070631 0.76 ANPEP (0.31) PTGS2
SCHEMBL17070632 0.75 GRM2 (0.33) GRM2
SCHEMBL18015200 0.74 KDM1A (0.42) KDM1ANAAATUBB1PTGS2CCNT1
SCHEMBL17070721 0.74 CPS1 (0.35) PTGS2ALDH1A1
SCHEMBL9484876 0.73 L3MBTL1 (0.53) KDM1ANAAATUBB1PTGS2FAAH

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 KDM1A 1110/4885NAAA 4347/4885TUBB1 4227/4885

“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.