SCHEMBL6054433

SCHEMBL6054433

CC(=O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.82
SMN1; SMN2 Q16637 2/20 0.78
ALDH1A1 P00352 1/20 0.78
HTT P42858 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
MAOA P21397 2/20 0.68
FFAR1 O14842 1/20 0.64
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
HRH3 Q9Y5N1 3/20 0.59
GSTP1 P09211 1/20 0.59
ADAMTS4 O75173 1/20 0.58
PARP10 Q53GL7 1/20 0.58

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
SCHEMBL9126144 0.95 MAOB (0.90) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL42302 0.90 MAOB (1.00) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL13513249 0.90 MAOB (0.87) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL11845043 0.88 MAOB (0.82) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL29154487 0.88 ALDH1A1 (0.83) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL7737574 0.87 MAOB (0.62) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL5582767 0.87 NR4A2 (0.81) MAOBSMN1; SMN2FFAR1NR4A1NR4A2
SCHEMBL1756343 0.87 NR4A2 (0.81) MAOBSMN1; SMN2FFAR1NR4A1NR4A2
SCHEMBL7539817 0.87 SRD5A2 (0.73) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL9547816 0.86 MAOB (0.91) MAOBSMN1; SMN2ALDH1A1HTTL3MBTL1

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
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 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-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MAOB 2920/4885SMN1; SMN2 1924/4885ALDH1A1 3708/4885

“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.