SCHEMBL13117380

SCHEMBL13117380

CC(=O)CCCCO[C@@H]1OC(COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ PTPN1 P18031 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37

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
SCHEMBL14878523 1.00 LMNA (0.50) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL12248448 1.00 LMNA (0.50) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL13447797 0.94 LMNA (0.50) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL17850335 0.94 LMNA (0.50) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL15592313 0.94 LMNA (0.50) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL24997212 0.94 LMNA (0.50) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL15592304 0.93 LMNA (0.51) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL15341349 0.93 LMNA (0.42) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL13447791 0.92 LMNA (0.51) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL16392954 0.91 LMNA (0.49) LMNAKMT2ACYP3A4MAPTCYP2C9

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-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-10-21 — — 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-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS DCLRE1A, PARP1, LIG1 LMNA 91/4885KMT2A 2087/4885CYP3A4 4518/4885

“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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