SCHEMBL2822906

SCHEMBL2822906

CCOC(=O)c1cnn(Cc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
GRM2 Q14416 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
F2RL3 Q96RI0 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CYP19A1 P11511 1/20 0.47
POLB P06746 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL553848 0.93 ALDH1A1 (0.60) ALDH1A1LMNAGRM2L3MBTL1F2RL3
SCHEMBL1909166 0.89 GRM2 (0.53) ALDH1A1LMNAGRM2HSD17B10
SCHEMBL553854 0.88 HSD17B10 (0.60) ALDH1A1LMNAGRM2L3MBTL1F2RL3
SCHEMBL2821953 0.88 LMNA (0.54) ALDH1A1LMNAGRM2SMN1; SMN2CYP19A1
SCHEMBL28595790 0.88 ESR1 (0.55) ALDH1A1LMNAGRM2SMN1; SMN2TSHR
SCHEMBL30739109 0.87 GRM2 (0.49) ALDH1A1LMNAGRM2L3MBTL1F2RL3
SCHEMBL3092869 0.87 HSD17B10 (0.51) ALDH1A1LMNAGRM2L3MBTL1SMN1; SMN2
SCHEMBL554548 0.87 GRM2 (0.51) ALDH1A1LMNAGRM2SMN1; SMN2HSD17B10
SCHEMBL553801 0.87 GRM2 (0.53) ALDH1A1LMNAGRM2L3MBTL1F2RL3
SCHEMBL16246754 0.87 KLKB1 (0.57) ALDH1A1LMNAGRM2HSD17B10

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-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 ALDH1A1 461/4885LMNA 1512/4885GRM2 849/4885

“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.