SCHEMBL5534634

SCHEMBL5534634

CCOC(=O)COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48
TBXAS1 P24557 1/20 0.48

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
SCHEMBL5279675 0.84 GAA (0.60) POLBGAANPSR1SMN1; SMN2KDM4E
SCHEMBL13279565 0.83 MEN1 (0.63) POLBCYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL11815554 0.83 GAA (0.72) POLBGAANPSR1SMN1; SMN2KDM4E
SCHEMBL4169834 0.81 NPSR1 (0.66) POLBGAANPSR1SMN1; SMN2KDM4E
SCHEMBL5202817 0.81 GAA (0.66) POLBGAANPSR1CYP1A2SMN1; SMN2
SCHEMBL12953204 0.81 POLB (0.50) POLBGAANPSR1CYP1A2CYP2C19
SCHEMBL9267668 0.81 GAA (0.70) POLBGAANPSR1SMN1; SMN2KDM4E
SCHEMBL1107148 0.81 GAA (0.70) POLBGAANPSR1SMN1; SMN2KDM4E
SCHEMBL11550281 0.81 GAA (0.70) POLBGAANPSR1SMN1; SMN2KDM4E
SCHEMBL2173764 0.81 PSEN1 (0.52) POLBGAACYP1A2CYP2C19SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406013-C Camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2008-07-30 CN disclosed
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
WO-2005123714-A1 QUINAZOLINE COMPOUNDS AND THEIR USE IN MCH-RELATED DISEASE 7TM PHARMA A/S (DK) 2005-12-29 WO 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 POLB 2416/4885GAA 3986/4885NPSR1 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.