SCHEMBL3892034

SCHEMBL3892034

CCCCCCN(CCCCCC)c1ccc2c(c1)oc(=O)c1c(=O)cc(O)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.48
▸ ATM Q13315 6/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ TDP1 Q9NUW8 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ HTT P42858 5/20 0.48
▸ CASP1 P29466 5/20 0.48
▸ CASP7 P55210 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ SRC P12931 3/20 0.48
▸ KDM4E B2RXH2 9/20 0.43
▸ GLA P06280 7/20 0.43
▸ GAA P10253 3/20 0.43

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
SCHEMBL3953684 0.79 ALDH1A1 (0.46) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL3901017 0.76 ALDH1A1 (0.71) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL24862103 0.72 ALDH1A1 (0.60) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL16563064 0.72 IGLV6-57 (0.72) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL16563181 0.71 ALDH1A1 (0.51) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL8122108 0.70 ALDH1A1 (0.75) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL16563262 0.69 IGLV6-57 (0.54) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL23704571 0.69 MAOB (0.61) ALDH1A1ATMMEN1KMT2AHPGD
SCHEMBL21456974 0.69 ALDH1A1 (0.56) ALDH1A1ATMMEN1KMT2ATDP1
SCHEMBL14408374 0.68 ALDH1A1 (0.52) ALDH1A1ATMMEN1KMT2ATDP1

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 4053/4885ATM 3334/4885MEN1 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.

Send feedback