SCHEMBL21130045

SCHEMBL21130045

O=C(CCC(=O)ON1C(=O)CCC1=O)NCCOC(=O)OCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 7/20 0.37
CA9 Q16790 7/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK5 Q16478 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK3 P27361 1/20 0.32
ASAH1 Q13510 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL21130048 0.86 LMNA (0.43) LMNAKMT2ACA12CA9CA1
SCHEMBL19382510 0.84 LMNA (0.52) LMNAKMT2ACA12CA9CA1
SCHEMBL18798673 0.83 LMNA (0.50) LMNAKMT2ACA12CA9CA1
SCHEMBL21129746 0.80 LMNA (0.45) LMNAKMT2ACA12CA9CA1
SCHEMBL18800054 0.80 KMT2A (0.45) LMNAKMT2ACA12CA9CA1
SCHEMBL18800055 0.80 LMNA (0.45) LMNAKMT2ACA12CA9CA1
SCHEMBL21130046 0.78 LMNA (0.44) LMNAKMT2ACA12CA9CA1
SCHEMBL16574249 0.76 LMNA (0.62) LMNAKMT2ACA12CA9CA1
SCHEMBL18800087 0.75 LMNA (0.53) LMNAKMT2ACA12CA9CA1
SCHEMBL12657433 0.74 LMNA (0.53) LMNAKMT2ACA12CA9CA1

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-10322180-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging VISION GLOBAL HOLDINGS LTD. (HK) 2019-06-18 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-10322180-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging HBG2, HBG1, HBB LMNA 382/4885KMT2A 1231/4885CA12 64/4885

“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.