SCHEMBL19504727

SCHEMBL19504727

COc1ccc(OCCOC(C)OCc2cccc(OCCOC(C)OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
LTA4H P09960 1/20 0.42
SLC2A1 P11166 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL19497635 0.82 CYP2C9 (0.44) RAB9ASMN1; SMN2
SCHEMBL683157 0.76 RAB9A (0.50) MAOBLTA4HRAB9ASMN1; SMN2
SCHEMBL9610288 0.76 NPSR1 (0.43) MAOBIDO1AGXTTAAR1RAB9A
SCHEMBL775134 0.75 KCNA3 (0.50) LTA4HTAAR1PKMRAB9A
SCHEMBL10819596 0.74 MAOB (0.60) MAOBRAB9A
SCHEMBL682849 0.74 IDO1 (0.53) MAOBIDO1AGXT
SCHEMBL683431 0.73 LTA4H (0.56) LTA4HSLC2A1RAB9A
SCHEMBL14547318 0.72 MAOB (0.81) MAOBIDO1AGXTTP53PKM
SCHEMBL3920395 0.72 MAPK1 (0.68) MAOBRAB9ANPSR1MAPK1
SCHEMBL14731903 0.71 TAAR1 (0.67) MAOBIDO1AGXTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305848-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-26 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-20170305848-A1 SULFONIUM SALT, PHOTOACID GENERATOR, AND PHOTOSENSITIVE COMPOSITION ARSA, SPIN1, ASIC1 MAOB 4213/4885IDO1 3576/4885AGXT 2157/4885

“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.