SCHEMBL5538129

SCHEMBL5538129

CCOC(=O)COc1ccnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CASP3 P42574 1/20 0.52
CASP7 P55210 1/20 0.52
CASP9 P55211 1/20 0.52
USP2 O75604 1/20 0.49
F9 P00740 1/20 0.47
KMT2A Q03164 2/20 0.46
ABCB1 P08183 1/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
TLR9 Q9NR96 2/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL20074382 0.81 POLB (0.49) KDM4EALDH1A1SMN1; SMN2CASP3CASP7
SCHEMBL10440111 0.81 TYMS (0.46) KDM4EALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL2112736 0.80 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL13876457 0.80 LOXL2 (0.48) ALDH1A1SMN1; SMN2KMT2AHPGDMAPK1
SCHEMBL526387 0.80 LOXL2 (0.48) ALDH1A1SMN1; SMN2KMT2AHPGDMAPK1
SCHEMBL6174947 0.79 PKM (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL25088017 0.79 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2CASP3CASP7
SCHEMBL6537473 0.79 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2CASP3CASP7
SCHEMBL27718342 0.79 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2CASP3CASP7
SCHEMBL2010417 0.78 USP2 (0.67) KDM4EALDH1A1SMN1; SMN2CASP3CASP7

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 KDM4E 4030/4885ALDH1A1 514/4885SMN1; SMN2 4834/4885

“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.