SCHEMBL2517872

SCHEMBL2517872

COC(=O)c1ccccc1CON1C(C)(C)CCCC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL2512584 0.86 TP53 (0.43) ALDH1A1HTTHIF1ATSHR
SCHEMBL12200810 0.86 GAA (0.41) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL2516710 0.84 ALDH1A1 (0.38) ALDH1A1LMNAHTTKDM4EALOX12
SCHEMBL27806549 0.79 TP53 (0.37) ALDH1A1HTTKMT2AMEN1HIF1A
SCHEMBL12227559 0.74 KMT2A (0.33) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL27784696 0.74 FOLH1 (0.44) ALDH1A1HTTKMT2AMEN1HIF1A
SCHEMBL3150175 0.73 ALDH1A1 (0.62) ALDH1A1LMNAHTTKDM4EHSD17B10
SCHEMBL6669086 0.73 ALDH1A1 (0.62) ALDH1A1LMNAHTTKDM4EHSD17B10
SCHEMBL11001273 0.71 ALDH1A1 (0.52) ALDH1A1LMNAHTTHSD17B10KMT2A
Dimethyl Phthalate SCHEMBL23276285 0.71 TSHR (0.65) ALDH1A1LMNAKDM4EHSD17B10HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034623-B2 Method for free radical initiated peptide sequencing University-Industry Cooperation Foundation, Sogang University (KR) 2011-10-11 US disclosed
US-8034623-B2 Method for free radical initiated peptide sequencing University-Industry Cooperation Foundation, Sogang University (KR) 2011-10-11 US disclosed
US-8034623-B2 Method for free radical initiated peptide sequencing University-Industry Cooperation Foundation, Sogang University (KR) 2011-10-11 US disclosed
US-20100240139-A1 FREE RADICAL INITIATOR AND METHOD FOR PEPTIDE SEQUENCING USING THE SAME University-Industry Cooperation Foundation Sogang University (KR) 2010-09-23 US disclosed
US-20100240139-A1 FREE RADICAL INITIATOR AND METHOD FOR PEPTIDE SEQUENCING USING THE SAME University-Industry Cooperation Foundation Sogang University (KR) 2010-09-23 US disclosed
US-20100240139-A1 FREE RADICAL INITIATOR AND METHOD FOR PEPTIDE SEQUENCING USING THE SAME University-Industry Cooperation Foundation Sogang University (KR) 2010-09-23 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-20100240139-A1 FREE RADICAL INITIATOR AND METHOD FOR PEPTIDE SEQUENCING USING THE SAME PRDX5, PRDX2, PRDX4 ALDH1A1 3923/4885LMNA 4406/4885HTT 605/4885

“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.