SCHEMBL18822271

SCHEMBL18822271

CC(C)COC(=O)C(CCn1nnc2ccccc2c1=O)C(=O)OCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL6293209 0.84 KMT2A (0.55) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL7861877 0.83 KMT2A (0.54) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL18787411 0.82 KMT2A (0.67) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL877171 0.75 KMT2A (0.54) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL764382 0.74 KMT2A (0.62) KMT2AALDH1A1MEN1KDM4ENPSR1
SCHEMBL13173790 0.74 ALDH1A1 (0.65) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL877796 0.74 KMT2A (0.69) KMT2AALDH1A1MEN1KDM4ENPSR1
SCHEMBL764359 0.74 KMT2A (0.54) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL18807161 0.73 KMT2A (0.57) KMT2AALDH1A1MEN1TP53HSD17B10
SCHEMBL4873292 0.72 KMT2A (1.00) KMT2AALDH1A1MEN1KDM4ETSHR

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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 KMT2A 4650/4885ALDH1A1 1632/4885MEN1 4601/4885

“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.