SCHEMBL14239287

SCHEMBL14239287

COC(=O)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CN[C@H](C(=O)OC)C(C)C)c1C2=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TERT O14746 10/20 0.51
PTPRC P08575 1/20 0.50
PTPN13 Q12923 1/20 0.50
MAOA P21397 1/20 0.49
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
DNMT1 P26358 1/20 0.47
RAD52 P43351 1/20 0.47
SMARCA2 P51531 1/20 0.47
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL14240229 1.00 TERT (0.51) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL12110592 0.96 TERT (0.52) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL14240029 0.91 TERT (0.50) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL14239232 0.88 TERT (0.53) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL14240478 0.88 TERT (0.53) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL12110542 0.84 TERT (0.54) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL14239233 0.83 TERT (0.49) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL12110536 0.80 TERT (0.50) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL1305106 0.79 TERT (0.60) TERTPTPRCPTPN13MAOAMEN1
SCHEMBL14240031 0.79 PTPRC (0.58) TERTPTPRCPTPN13MAOAMEN1

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-20120316234-A1 ANTHRAQUINONE -BASED COMPOUND, THE SYNTHESIS PROCESSES AND THE APPLICATION THEREOF NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-12-13 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-20120316234-A1 ANTHRAQUINONE -BASED COMPOUND, THE SYNTHESIS PROCESSES AND THE APPLICATION THEREOF AAAS, QPCT, NQO2 TERT 2376/4885PTPRC 4400/4885PTPN13 4825/4885

“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.