SCHEMBL3953684

SCHEMBL3953684

C=CCN(CC=C)c1ccc2c(c1)oc(=O)c1c(=O)cc(O)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ HPGD P15428 6/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ ATM Q13315 5/20 0.46
▸ CASP7 P55210 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ CASP1 P29466 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ HKDC1 Q2TB90 1/20 0.46
▸ KDM4E B2RXH2 9/20 0.42
▸ MAPT P10636 8/20 0.42
▸ GLA P06280 6/20 0.42
▸ GAA P10253 3/20 0.42

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
SCHEMBL3892034 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL16985193 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3950391 0.74 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL16985192 0.73 MAOA (0.52) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9279833 0.70 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL16296942 0.70 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL1752667 0.69 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL25411899 0.68 ALOX15 (0.46) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL8813329 0.68 IGLV6-57 (0.47) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL15138689 0.66 SLC16A3 (0.70) ALDH1A1MEN1KMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553869-B2 Protein probe compounds, compositions, and methods PIERCE BIOTECHNOLOGY, INC. (US) 2009-06-30 — — US disclosed
US-20080026478-A1 PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS PIERCE BIOTECHNOLOGY, INC. (US) 2008-01-31 — — US disclosed
WO-2008013543-A1 PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS PIERCE BIOTECHNOLOGY, INC. (US) 2008-01-31 — — WO 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-20080026478-A1 PROTEIN PROBE COMPOUNDS, COMPOSITIONS, AND METHODS HIRA, CUTA, MRPS27 ALDH1A1 4053/4885MEN1 460/4885KMT2A 1195/4885

“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.

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