SCHEMBL17070637

SCHEMBL17070637

CCOc1ccc(C2CCC(C)=CO2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
ACE2 Q9BYF1 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
HTR2A P28223 2/20 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
SCHEMBL17070652 0.95 S1PR1 (0.31) KDM1AACE2SLC6A2SLC6A4SLC6A3
SCHEMBL17070645 0.88
SCHEMBL17070644 0.86 ACE2 (0.32) KDM1AACE2SLC6A2SLC6A4SLC6A3
SCHEMBL17068592 0.83 KDM1A (0.31) KDM1AKDM4EMAPT
SCHEMBL17070658 0.83
SCHEMBL17070634 0.82 S1PR1 (0.32) KDM1AACE2HTR2CHTR2BHTR2A
SCHEMBL17068596 0.80 ACE2 (0.35) ACE2
SCHEMBL17070653 0.80 KDM1A (0.34) KDM1A
SCHEMBL17070660 0.80
SCHEMBL17068393 0.80

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 1110/4885ACE2 471/4885SLC6A2 4619/4885

“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.