SCHEMBL10065664

SCHEMBL10065664

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)Cc2cccc(n2)CN(C(CCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
AKR1B1 P15121 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
PTGS2 P35354 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ADORA3 P0DMS8 1/20 0.39
DHFR P00374 4/20 0.36
ATIC P31939 3/20 0.36
GART P22102 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35

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
SCHEMBL10065665 0.91 TYMS (0.57) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL10065545 0.90 TYMS (0.60) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801299 0.85 TYMS (0.61) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801597 0.84 TYMS (0.63) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL18709164 0.84 KDM4E (0.47) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801446 0.83 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL2620981 0.80 TYMS (0.71) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL16386323 0.80 TYMS (0.71) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL12801454 0.80 TYMS (0.58) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL14342341 0.80 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB

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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 TYMS 2924/4885KDM4E 4795/4885MEN1 136/4885

“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.