SCHEMBL21741652

SCHEMBL21741652

OCC1(OO)Cc2ccc(OCc3ccccc3)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
MAOA P21397 6/20 0.48
CA2 P00918 2/20 0.46
CA5A P35218 2/20 0.46
HIF1A Q16665 3/20 0.45
HTR6 P50406 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL21326806 0.84 MAOB (0.51) MAOBMAOACA2CA5AHIF1A
SCHEMBL9748619 0.78 MAOB (0.69) MAOBMAOACA2CA5AHIF1A
SCHEMBL21326784 0.72 CA2 (0.48) MAOBMAOACA2CA5AHIF1A
SCHEMBL21326813 0.72 MAOB (0.49) MAOBMAOACA2CA5AHIF1A
SCHEMBL21741674 0.69 ADAM17 (0.48) MAOBMAOACA2CA5AHIF1A
SCHEMBL5888816 0.69 MAOB (0.51) MAOBMAOACA2CA5AHRH3
SCHEMBL12470264 0.68 MAOB (0.70) MAOBMAOACA2CA5AHRH3
SCHEMBL7328699 0.68 MAOB (0.69) MAOBMAOACA2CA5AHTR6
SCHEMBL6798234 0.68 PPARG (0.72)
SCHEMBL7312003 0.67 HTR6 (0.71) MAOBMAOACA2CA5AHTR6

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-20200055817-A1 SPIRO-COMPOUNDS AS SIP MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-20 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-20200055817-A1 SPIRO-COMPOUNDS AS SIP MODULATORS S1PR1, STIM1, GIPR MAOB 2700/4885MAOA 3118/4885CA2 2289/4885

“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.