SCHEMBL919489

SCHEMBL919489

CCOC(=O)C(C)ON=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL24133096 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL12269675 0.77 TSHR (0.32) TSHR
SCHEMBL16870267 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL731801 0.75 TP53 (0.35) ALDH1A1GAAKMT2ACYP2C9CYP2C19
SCHEMBL15649073 0.74 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL12074232 0.74 SMN1; SMN2 (0.39) LMNACYP2C19TSHR
SCHEMBL6906507 0.73 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL725208 0.73 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL12951628 0.72
SCHEMBL195331 0.72

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779138-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2014-07-15 US disclosed
US-8563537-B2 Camptothecin derivatives as chemoradiosensitizing agents Sutter West Bay Hospital (US) 2013-10-22 US disclosed
EP-1951231-B1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MED CENTER (US) 2013-07-31 EP disclosed
US-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2011-07-28 US disclosed
US-7875602-B2 Camptothecin-based compounds are modified by positioning at least one electron-affinic group around the camptothecin structure to enhance their value in cancer treatment in combination with radiotherapy; less toxic SUTTER WEST BAY HOSPITALS (US) 2011-01-25 US disclosed
US-20080318873-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2008-12-25 US disclosed
EP-1951231-A2 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS California Pacific Medical Center (US) 2008-08-06 EP disclosed
WO-2007048002-A2 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 WO disclosed
US-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents CALIFORNIA PACIFIC MEDICAL CENTER 2007-04-26 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 (3 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-20070093432-A1 Camptothecin derivatives as chemoradiosensitizing agents ERCC2, CHEK1, ERCC4 ALDH1A1 2656/4885LMNA 2280/4885HSD17B10 4630/4885
US-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS ERCC2, CHEK1, ERCC4 ALDH1A1 2656/4885LMNA 2280/4885HSD17B10 4630/4885
US-20080318873-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS ERCC2, CHEK1, ERCC4 ALDH1A1 2656/4885LMNA 2280/4885HSD17B10 4630/4885

“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.