SCHEMBL5533461

SCHEMBL5533461

O=C(O)COc1c(Cl)cc(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PLAU P00749 1/20 0.42
CD69 Q07108 2/20 0.42
ACLY P53396 1/20 0.41
CYP2C19 P33261 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
SCHEMBL481443 0.84 KMT2A (0.66) KMT2AHIF1ATDP1PKMKDM4E
Hydrochloric Acid SCHEMBL10388885 0.82 KMT2A (0.63) KMT2AHIF1ATDP1PKMKDM4E
SCHEMBL113262 0.81 KMT2A (0.61) KMT2AHIF1ATDP1PKMKDM4E
SCHEMBL11576418 0.81 PLAU (0.64) KMT2AHIF1ATDP1PKMKDM4E
SCHEMBL5211055 0.78 KMT2A (0.58) KMT2AHIF1ATDP1PKMKDM4E
SCHEMBL10981785 0.78 KMT2A (0.58) KMT2AHIF1ATDP1PKMKDM4E
SCHEMBL5535275 0.78 GAA (0.47) KMT2ATDP1PKMKDM4ETSHR
SCHEMBL2059557 0.77 AGBL2 (0.46) KMT2APKMKDM4EHTTMCL1
SCHEMBL5834958 0.77 CYP2C19 (0.56) KMT2AHIF1ATDP1PKMKDM4E
SCHEMBL3727991 0.77 TDP1 (0.70) KMT2ATDP1PKMTSHRSMN1; 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 8 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
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN 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 KMT2A 4155/4885HIF1A 1398/4885TDP1 1984/4885

“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.