SCHEMBL18788902

SCHEMBL18788902

Ic1ccccc1OCc1ccccc1.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
BLM P54132 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL18788864 0.99 FFAR1 (0.41) FFAR1MAOBALDH1A1NPSR1MAPT
SCHEMBL18788884 0.88 FFAR1 (0.43) FFAR1MAOBALDH1A1MAPTMAPK1
SCHEMBL18788907 0.82 APP (0.51) FFAR1MAOBPOLB
SCHEMBL18788898 0.81 APP (0.50) MAOB
SCHEMBL18788882 0.81 APP (0.50) MAOB
SCHEMBL18788899 0.81 FAAH (0.41) FFAR1MAOBALDH1A1MAPTMAPK1
SCHEMBL74678 0.77 MAPT (0.59) FFAR1MAPTMAPK1TDP1L3MBTL1
SCHEMBL17064142 0.76 ALDH1A1 (0.39) ALDH1A1NPSR1MAPK1MEN1KMT2A
SCHEMBL18788855 0.74 L3MBTL1 (0.48) FFAR1MAOBALDH1A1MAPTMAPK1
SCHEMBL27656865 0.71 FFAR1 (0.49) FFAR1MAPTMAPK1TDP1L3MBTL1

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-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 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 (2 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS FFAR1 1563/4885MAOB 344/4885ALDH1A1 2216/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS FFAR1 1563/4885MAOB 344/4885ALDH1A1 2216/4885

“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.