SCHEMBL5531456

SCHEMBL5531456

CCOC(=O)COc1ccc(C(C)=O)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CREBBP Q92793 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ESR1 P03372 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43

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
SCHEMBL2010422 0.87 KMT2A (0.66) KMT2ACREBBPALDH1A1SMN1; SMN2KDM4E
SCHEMBL2439155 0.85 KMT2A (0.57) KMT2ACREBBPL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9272260 0.84 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL29536561 0.84 LMNA (0.58) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL13239750 0.84 LMNA (0.58) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2007531 0.83 ALDH1A1 (0.54) KMT2ACREBBPL3MBTL1ALDH1A1KDM4E
SCHEMBL7465120 0.83 KMT2A (0.78) KMT2ACREBBPL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4776200 0.82 ESR1 (0.49) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL25223765 0.82 TDP1 (0.52) KMT2ASMN1; SMN2MEN1HPGDMAPT
SCHEMBL5533467 0.82 FFAR1 (0.52) KMT2ACREBBPALDH1A1SMN1; SMN2MEN1

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 4155/4885CREBBP 1280/4885L3MBTL1 830/4885

“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.