SCHEMBL17779076

SCHEMBL17779076

CCOC(=O)c1oc2c(C)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.71
▸ KDM4E B2RXH2 12/20 0.71
▸ MAPT P10636 10/20 0.71
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ BLM P54132 1/20 0.47
▸ TSHR P16473 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ HSD17B10 Q99714 5/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ GAA P10253 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL16410895 0.85 KDM4E (0.85) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17779067 0.80 KDM4E (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16410901 0.78 RAB9A (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13833701 0.76 KDM4E (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17774410 0.72 KDM4E (0.70) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16410891 0.71 MAPT (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17774412 0.70 MEN1 (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16410900 0.69 POLB (0.65) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16410902 0.67 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL694406 0.67 NPSR1 (0.66) ALDH1A1KDM4EMAPTMEN1KMT2A

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-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 — — 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-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 ALDH1A1 353/4885KDM4E 472/4885MAPT 3398/4885

“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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