SCHEMBL9899433

SCHEMBL9899433

CCOc1ccc(C2CCC(C3CCO3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.33
HTR2B P41595 4/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM1A O60341 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FPR2 P25090 5/20 0.31

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
SCHEMBL9899592 0.99 HTR2A (0.33) HTR2AHTR2BADRB2HTR1ASLC6A2
SCHEMBL21478580 0.90 OPRL1 (0.31) ALDH1A1MAPT
SCHEMBL17827811 0.88 FPR2 (0.32) HTR2AHTR2BKDM1AFPR2HTR2C
SCHEMBL17827785 0.87 KDM1A (0.38) HTR2AHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL26209540 0.87 KDM1A (0.38) HTR2AHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL26209563 0.87 KDM1A (0.38) HTR2AHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL17827780 0.87 KDM1A (0.38) HTR2AHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL14922531 0.85 KDM1A (0.41) HTR2AHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL18898301 0.84 ALDH1A1 (0.31) ALDH1A1MAPTFPR2HSD17B10HRH3
SCHEMBL18898299 0.84 ALDH1A1 (0.32) ALDH1A1FPR2

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 HTR2A 787/4885HTR2B 759/4885ADRB2 707/4885

“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.