SCHEMBL21101070

SCHEMBL21101070

C=C(C)c1c(C=O)c(=O)oc2cc(N(CC)CC)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.58
NPSR1 Q6W5P4 4/20 0.58
KDM4E B2RXH2 9/20 0.52
ATM Q13315 8/20 0.52
GLA P06280 6/20 0.52
GAA P10253 2/20 0.52
KLK7 P49862 1/20 0.52
MAPT P10636 8/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
HPGD P15428 8/20 0.51
HSD17B10 Q99714 6/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
CASP1 P29466 5/20 0.51
CASP7 P55210 5/20 0.51
HTT P42858 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
CYP3A4 P08684 3/20 0.51
IGLV6-57 P01721 3/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL29952780 0.83 ALDH1A1 (0.63) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL11584450 0.81 ALDH1A1 (0.67) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL29493311 0.80 ALDH1A1 (0.68) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL12509949 0.80 ALDH1A1 (0.63) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL20796624 0.80 ALDH1A1 (0.63) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL2195842 0.80 ALDH1A1 (0.68) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL18840045 0.77 ALDH1A1 (0.59) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL18655467 0.76 ALDH1A1 (0.67) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL21456977 0.76 ALDH1A1 (0.67) ALDH1A1NPSR1KDM4EATMGLA
SCHEMBL6978804 0.76 ALDH1A1 (0.55) ALDH1A1NPSR1KDM4EATMGLA

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-10330673-B2 Fluorescent chemical sensor for biological amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-06-25 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-10330673-B2 Fluorescent chemical sensor for biological amines ADRB3, SLC18A1, AOC3 ALDH1A1 215/4885NPSR1 98/4885KDM4E 2073/4885

“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.