SCHEMBL18788907

SCHEMBL18788907

Ic1ccc(OCc2ccccc2)cc1.O=C1CC(=O)OC2(CCCC2)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.51
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GSTP1 P09211 1/20 0.43
PPARG P37231 1/20 0.42
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL18788882 0.99 APP (0.50) APPRXRARXRBMAOAMAOB
SCHEMBL18788898 0.99 APP (0.50) APPRXRARXRBMAOAMAOB
SCHEMBL18788870 0.85 APP (0.51) APPRXRARXRBMAOAMAOB
SCHEMBL18788878 0.85 APP (0.51) APPRXRARXRBMAOAMAOB
SCHEMBL18788854 0.82 APP (0.49) APPRXRARXRBMAOAMAOB
SCHEMBL18788891 0.82 APP (0.49) APPRXRARXRBMAOAMAOB
SCHEMBL18788902 0.82 FFAR1 (0.42) MAOBFFAR1POLB
SCHEMBL18788864 0.81 FFAR1 (0.41) MAOBFFAR1HPGDPOLB
SCHEMBL18788904 0.80 APP (0.46) APPRXRARXRBMAOAMAOB
SCHEMBL18788879 0.78 APP (0.51) APPRXRARXRBMAOBRORC

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 APP 4590/4885RXRA 2509/4885RXRB 2602/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS APP 4590/4885RXRA 2509/4885RXRB 2602/4885

“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.