SCHEMBL5533494

SCHEMBL5533494

CCc1cc(OCC(=O)O)c(I)nc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL5532109 0.73 S1PR4 (0.49) KDM4EL3MBTL1GLAALDH1A1HPGD
SCHEMBL22165802 0.70 ALOX15 (0.38) KDM4EL3MBTL1ALDH1A1HTTPOLB
SCHEMBL26834207 0.69 ELANE (0.53) KDM4EL3MBTL1GLAALDH1A1PTGDR2
SCHEMBL16342279 0.68 PTGDR2 (0.60) KDM4EL3MBTL1GLAPTGDR2POLB
SCHEMBL5569554 0.68 S1PR4 (0.44) KDM4EL3MBTL1GLAALDH1A1HPGD
SCHEMBL22165072 0.67 PPARG (0.33) SMN1; SMN2PPARG
SCHEMBL9905095 0.67 PKM (0.50) KDM4EL3MBTL1GLAALDH1A1HPGD
SCHEMBL16742921 0.67 KDM4E (0.66) KDM4EL3MBTL1GLAALDH1A1HPGD
SCHEMBL3194886 0.66 KDM4E (0.44) KDM4EL3MBTL1GLAHPGDHSD17B10
SCHEMBL16742946 0.66 KDM4E (0.43) KDM4EL3MBTL1GLAALDH1A1HPGD

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 4030/4885L3MBTL1 830/4885GLA 3442/4885

“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.