SCHEMBL13049192

SCHEMBL13049192

CCOC(=O)CCC(NC(=O)CNC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CTSK P43235 3/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13049195 0.86 KMT2A (0.47) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL13049193 0.85 L3MBTL1 (0.63) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL13399641 0.84 KMT2A (0.70) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL13399640 0.84 KMT2A (0.63) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL13399086 0.84 KMT2A (0.63) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL22070138 0.81 KMT2A (0.61) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL27405609 0.81 KMT2A (0.61) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL2721298 0.80 CYP1A2 (0.68) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL2721300 0.80 CYP1A2 (0.68) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL30312666 0.80 CTSK (0.53) KMT2APOLBCTSKCTSSCAPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338643-B2 Reagent for introduction of protein or gene WASEDA UNIVERSITY (JP) 2012-12-25 — — US disclosed
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE WASEDA UNIVERSITY (JP) 2010-11-18 — — 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-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE C1S, SGMS1, CERT1 KMT2A 1785/4885POLB 3728/4885CYP1A2 2678/4885

“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