SCHEMBL21844220

SCHEMBL21844220

C=CCOC(=O)C(CCCCN)NC(=O)NC(CCC(=O)OCC)C(=O)OCC=C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
FOLH1 Q04609 1/20 0.45
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CPB2 Q96IY4 3/20 0.36
CCKBR P32239 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
NOD1 Q9Y239 3/20 0.35
ACE P12821 1/20 0.34

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
SCHEMBL21943867 0.96 KMT2A (0.49) KMT2APOLBL3MBTL1FOLH1CYP1A2
SCHEMBL19594663 0.96 KMT2A (0.49) KMT2APOLBL3MBTL1FOLH1CYP1A2
SCHEMBL13400091 0.93 FOLH1 (0.49) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2
SCHEMBL13400056 0.93 FOLH1 (0.49) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2
SCHEMBL2742777 0.93 FOLH1 (0.49) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2
SCHEMBL14048625 0.89 FOLH1 (0.44) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2
SCHEMBL14048647 0.88 FOLH1 (0.58) FOLH1TSHRCPB2SLC6A5
SCHEMBL13515320 0.85 FOLH1 (0.42) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1276507 0.85 FOLH1 (0.45) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2
SCHEMBL14930704 0.85 TSHR (0.56) KMT2APOLBL3MBTL1FOLH1SMN1; SMN2

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-20200085758-A1 CO-DELIVERY OF NUCLEIC ACIDS FOR SIMULTANEOUS SUPPRESSION AND EXPRESSION OF TARGET GENES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2020-03-19 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-20200085758-A1 CO-DELIVERY OF NUCLEIC ACIDS FOR SIMULTANEOUS SUPPRESSION AND EXPRESSION OF TARGET GENES AGO2, DCLRE1A, RNASE1 KMT2A 3921/4885POLB 229/4885L3MBTL1 342/4885

“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.