SCHEMBL10083799

SCHEMBL10083799

O=C(CCC(=O)OC(CO)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MGLL Q99685 2/20 0.41
▸ BCL9 O00512 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TLR2 O60603 2/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7912741 0.84 KMT2A (0.53) KMT2AMGLLBCL9CTNNB1FAAH
SCHEMBL3829326 0.80 MGLL (0.54) KMT2AMGLLBCL9CTNNB1FAAH
SCHEMBL25357185 0.78 TGM2 (0.51) KMT2AMGLLTLR2
SCHEMBL25357858 0.78 TGM2 (0.51) KMT2AMGLLTLR2
SCHEMBL25357181 0.78 TGM2 (0.51) KMT2AMGLLTLR2
SCHEMBL25358031 0.78 KMT2A (0.51) KMT2AMGLLTLR2
SCHEMBL25358036 0.78 KMT2A (0.51) KMT2AMGLLTLR2
SCHEMBL556964 0.76 KMT2A (0.49) KMT2AMGLLFAAHTRPV1MAPT
SCHEMBL4956399 0.76 KMT2A (0.45) KMT2AMGLLFAAHTRPV1TLR2
SCHEMBL29989659 0.75 TGM2 (0.46) KMT2AMGLLFAAHTRPV1TLR2

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-20120016128-A1 Rhodamine lactone phosphoramidites and polymers AAT BIOQUEST, INC. 2012-01-19 — — 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-20120016128-A1 Rhodamine lactone phosphoramidites and polymers PHYKPL, PFAS, PHOSPHO1 KMT2A 3210/4885MGLL 1062/4885BCL9 3123/4885

“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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