SCHEMBL9898517

SCHEMBL9898517

CCOc1ccc(C2CCO2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
KDM1A O60341 2/20 0.37
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2B P41595 4/20 0.35
HTR2A P28223 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL17827808 0.85 KDM1A (0.34) ALDH1A1KDM4EKDM1AHPGDMEN1
SCHEMBL22269644 0.82 S1PR1 (0.30)
SCHEMBL12023722 0.81 FPR2 (0.39) KDM1A
SCHEMBL12023597 0.81 FPR2 (0.39) KDM1A
SCHEMBL9899433 0.80 HTR2A (0.33) ALDH1A1KDM4EKDM1AMEN1MAPT
SCHEMBL19160885 0.80 GRIN1 (0.32) KDM1A
SCHEMBL14922531 0.80 KDM1A (0.41) ALDH1A1KDM4EKDM1AHPGDMAPT
SCHEMBL12032499 0.79 SLC6A2 (0.37) KDM1AHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL19466343 0.79 KDM1A (0.34) KDM1ATDP1L3MBTL1HTR2BHTR2A
SCHEMBL9899592 0.79 HTR2A (0.33) ALDH1A1KDM4EKDM1AMEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468740-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORP (JP) 2017-08-02 EP disclosed
US-9663716-B2 Tetrahydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-30 US disclosed
EP-2468740-A1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS JNC Corporation (JP) 2012-06-27 EP disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 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-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CCND1, CCND2 ALDH1A1 686/4885KDM4E 2677/4885KDM1A 2319/4885

“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.