SCHEMBL3901017

SCHEMBL3901017

CCCCCCN(CCCCCC)c1ccc2c(O)cc(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
MAPT P10636 2/20 0.71
IGLV6-57 P01721 6/20 0.53
GLA P06280 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 3/20 0.51
ATM Q13315 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL8122108 0.95 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL8116718 0.89 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL16563064 0.86 IGLV6-57 (0.72) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL16563181 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL8115670 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL29593308 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL1942067 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL1941469 0.83 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL16563262 0.82 IGLV6-57 (0.54) ALDH1A1KMT2AMEN1MAPTIGLV6-57
SCHEMBL21457083 0.80 IGLV6-57 (0.56) ALDH1A1KMT2AMEN1MAPTIGLV6-57

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 4053/4885KMT2A 1195/4885MEN1 460/4885

“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.