SCHEMBL22342591

SCHEMBL22342591

O=C(COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CASP3 P42574 1/20 0.37
▸ TLR2 O60603 2/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35

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
SCHEMBL16942065 0.92 KMT2A (0.52) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL25391589 0.92 KMT2A (0.52) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL30748702 0.92 KMT2A (0.52) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL25390706 0.92 KMT2A (0.52) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL12806526 0.87 KMT2A (0.55) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL30277387 0.87 KMT2A (0.55) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL3087950 0.85 KMT2A (0.58) KMT2AEPHX2CASP3
SCHEMBL16769614 0.84 KMT2A (0.56) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL2744429 0.83 KMT2A (0.51) KMT2AEPHX2LMNASMN1; SMN2CASP3
SCHEMBL8263309 0.83 KMT2A (0.51) KMT2AEPHX2LMNASMN1; SMN2CASP3

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-20200254110-A1 LIGAND-CONJUGATES AND METHODS FOR TARGETED RECEPTOR-MEDIATED CELLULAR UPTAKE UNIVERSITY OF BREMEN (DE) 2020-08-13 — — 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-20200254110-A1 LIGAND-CONJUGATES AND METHODS FOR TARGETED RECEPTOR-MEDIATED CELLULAR UPTAKE ASGR1, HAVCR2, LDLR KMT2A 4235/4885EPHX2 2104/4885LMNA 3594/4885

“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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