SCHEMBL6804386

SCHEMBL6804386

CCOC(=O)c1ccc(Oc2cccc(S(=O)(=O)c3ccc(CCN(Cc4ccccc4)C(=O)OC(C)(C)C)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.49
LPAR5 Q9H1C0 5/20 0.49
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
CETP P11597 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PTGES O14684 1/20 0.40
ACHE P22303 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
SCHEMBL6805739 0.94 LPAR1 (0.43) LPAR1LPAR5MAPTMAPK1SMN1; SMN2
SCHEMBL6676692 0.91 LPAR1 (0.59) LPAR1LPAR5PTGES
SCHEMBL6540487 0.90 POLB (0.50) MAPTMAPK1SMN1; SMN2POLBTP53
SCHEMBL6539924 0.90 POLB (0.53) MAPTMAPK1SMN1; SMN2POLBTP53
SCHEMBL6541161 0.89 MAPT (0.45) MAPTMAPK1SMN1; SMN2POLBTP53
SCHEMBL6677130 0.87 LPAR1 (0.51) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL6540837 0.86 POLB (0.53) MAPTMAPK1SMN1; SMN2POLBTP53
SCHEMBL6800067 0.85 LPAR1 (0.49) LPAR1LPAR5MAPTCETPHDAC3
SCHEMBL6539988 0.85 PPARA (0.47) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL6541216 0.84 CYP4F2 (0.45) MAPTMAPK1SMN1; SMN2POLBTP53

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 LPAR1 1110/4885LPAR5 1485/4885MAPT 4534/4885

“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.