SCHEMBL5533491

SCHEMBL5533491

CCOC(=O)COc1ccc(C)nc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
S1PR4 O95977 1/20 0.46
GAA P10253 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.45
F9 P00740 1/20 0.43
ESR1 P03372 1/20 0.43
ABCB1 P08183 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
MITF O75030 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
SCHEMBL5569556 0.86 S1PR4 (0.47) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL5532109 0.83 S1PR4 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2S1PR4
SCHEMBL17972750 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL16900169 0.77 ALDH1A1 (0.62) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL5569554 0.77 S1PR4 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13739997 0.75 PTGDR2 (0.60) ALDH1A1KDM4ENPSR1HPGDMEN1
SCHEMBL13739761 0.74 PDE10A (0.44) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL3962439 0.74 ESR1 (0.56) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL9999941 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL2010417 0.73 USP2 (0.67) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US disclosed
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 EP disclosed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 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-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 ALDH1A1 514/4885KDM4E 4030/4885NPSR1 4803/4885

“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.