SCHEMBL20746507

SCHEMBL20746507

CC(=O)Oc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TTR P02766 2/20 0.48
MAPT P10636 8/20 0.44
MITF O75030 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAOA P21397 2/20 0.44
ELANE P08246 2/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 6/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 2/20 0.42
CYP3A4 P08684 2/20 0.42
MCL1 Q07820 2/20 0.42
BCL2 P10415 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4645309 0.83 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATTRMAPT
SCHEMBL27916746 0.81 MAPT (0.57) SMN1; SMN2NPC1RAB9ATTRMAPT
SCHEMBL11107245 0.79 TTR (0.54) SMN1; SMN2NPC1RAB9ATTRMAPT
SCHEMBL22323640 0.76 MAPT (0.44) SMN1; SMN2NPC1RAB9ATTRMAPT
Acetic Acid Methyl Ester SCHEMBL11739457 0.75 MAOA (0.54) SMN1; SMN2NPC1RAB9ATTRMAPT
SCHEMBL11101186 0.74 TTR (0.72) SMN1; SMN2NPC1RAB9ATTRMAPT
SCHEMBL3959473 0.74 MAPT (0.69) SMN1; SMN2NPC1RAB9ATTRMAPT
SCHEMBL11233502 0.74 TTR (0.55) SMN1; SMN2TTRMAPTMEN1KMT2A
SCHEMBL11000611 0.73 KDM4E (0.59) SMN1; SMN2TTRMAPTMEN1KMT2A
SCHEMBL11363990 0.72 TTR (0.53) SMN1; SMN2NPC1TTRMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230178-A1 TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2021-07-29 US disclosed
WO-2019036537-A1 TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2019-02-21 WO 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-20210230178-A1 TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS ANXA5, HCCS, BAX SMN1; SMN2 3346/4885NPC1 648/4885RAB9A 2286/4885

“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.