SCHEMBL919484

SCHEMBL919484

CCCCCCCCCC(C)C([O])=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
ACE2 Q9BYF1 1/20 0.55
GPR84 Q9NQS5 6/20 0.50
FDPS P14324 3/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 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
SCHEMBL7829773 1.00 CA1 (0.61) CA1ACE2GPR84FDPSFFAR1
SCHEMBL8885362 1.00 CA1 (0.61) CA1ACE2GPR84FDPSFFAR1
SCHEMBL276738 1.00 CA1 (0.61) CA1ACE2GPR84FDPSFFAR1
SCHEMBL277985 1.00 CA1 (0.61) CA1ACE2GPR84FDPSFFAR1
SCHEMBL8885541 1.00 CA1 (0.61) CA1ACE2GPR84FDPSFFAR1
SCHEMBL7866214 1.00 CA1 (0.61) CA1ACE2GPR84FDPSFFAR1
SCHEMBL277395 0.98 CA1 (0.64) CA1ACE2GPR84FDPSFFAR1
SCHEMBL276554 0.90
SCHEMBL3231557 0.83 CA1 (0.71) CA1ACE2GPR84FDPSFFAR1
SCHEMBL1321582 0.83 CA1 (0.71) CA1ACE2GPR84FDPSFFAR1

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 35 patents — showing the first 20. 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
WO-2012134446-A1 EPIANDROSTERONE AND/OR ANDROSTERONE DERIVATIVES AND METHOD OF USE THEREOF SUTTER WEST BAY HOSPITALS doing business as CALIFORNIA PACIFIC MEDICAL CENTER (US) 2012-10-04 WO disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US 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-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
US-20090105202-A1 Androsterone Derivatives and Method of Use thereof CALIFORNIA PACIFIC MEDICAL CENTER (US) 2009-04-23 US disclosed
WO-2003101998-A1 NITROGEN-BASED 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
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 US disclosed
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 WO disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 US disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 US disclosed
EP-1137737-A1 LIQUID CRYSTAL COMPOUND Rolic AG (CH) 2001-10-04 EP disclosed
WO-2000031211-A1 LIQUID CRYSTAL COMPOUND ROLIC AG (CH) 2000-06-02 WO 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 (5 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-20090105202-A1 Androsterone Derivatives and Method of Use thereof HSD17B11, CYP19A1, SHBG CA1 3576/4885ACE2 3753/4885GPR84 1314/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 CA1 1273/4885ACE2 4763/4885GPR84 1490/4885
US-20110184009-A1 CAMPTOTHECIN DERIVATIVES AS CHEMORADIOSENSITIZING AGENTS ERCC2, CHEK1, ERCC4 CA1 2738/4885ACE2 4594/4885GPR84 1950/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 CA1 3941/4885ACE2 4602/4885GPR84 1999/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 CA1 1273/4885ACE2 4763/4885GPR84 1490/4885

“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.