SCHEMBL21470146

SCHEMBL21470146

CCc1ccc(OC(=O)CCCCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
SLC22A2 O15244 1/20 0.49
TMPRSS2 O15393 1/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
F12 P00748 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLKB1 P03952 1/20 0.49
HPN P05981 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLC47A2 Q86VL8 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49

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
SCHEMBL28366841 0.92 KMT2A (0.56) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL28884841 0.92 KMT2A (0.56) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL20564938 0.92 KMT2A (0.56) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL20564564 0.92 KMT2A (0.56) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL20564903 0.90 KMT2A (0.58) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL28371002 0.87 KMT2A (0.59) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL28366896 0.87 KMT2A (0.59) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL14075281 0.87 KMT2A (0.52) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL28372521 0.87 KMT2A (0.55) KMT2ACYP1A2MEN1SLC22A2TMPRSS2
SCHEMBL14218903 0.86 KMT2A (0.50) KMT2ACYP1A2MEN1SLC22A2TMPRSS2

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-20210386861-A1 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
WO-2019200367-A9 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-12-19 WO disclosed
WO-2019200367-A1 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-10-17 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-20210386861-A1 BRUSH PRODRUGS AND USES THEREOF ABCB11, SI, ABCB1 KMT2A 2639/4885CYP1A2 320/4885MEN1 420/4885

“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.