SCHEMBL2821658

SCHEMBL2821658

CCCn1nc(Cc2ccc(C)cc2)cc1COC(=O)c1ccc(S(C)(CC)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2821656 0.79 TBXAS1 (0.36) MAPTPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL3465068 0.79 THRB (0.38) MAPTPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL3467076 0.79 THRB (0.36) MAPTPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL2822454 0.77 PPARA (0.40) MAPTPOLBALDH1A1KMT2AGAA
SCHEMBL2820072 0.76 ALDH1A1 (0.35) MAPTPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL2821506 0.69 SMN1; SMN2 (0.50) MAPTPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL2819721 0.67 PPARA (0.49)
SCHEMBL2822650 0.67 PPARA (0.46) MAPTALDH1A1KDM4E
SCHEMBL2819988 0.66 SMN1; SMN2 (0.41) MAPTPOLBALDH1A1KMT2AGAA
SCHEMBL2820147 0.65 ALDH1A1 (0.37) MAPTPOLBALDH1A1KMT2AGAA

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG MAPT 4229/4885POLB 598/4885ALDH1A1 461/4885

“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.