SCHEMBL6760778

SCHEMBL6760778

CCOC(=O)C=C(CC)c1ccnc(OC)c1C(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
NUDT1 P36639 1/20 0.33
MAOB P27338 1/20 0.32
FDPS P14324 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6764282 0.79
SCHEMBL6762154 0.79 NPSR1 (0.31) NPSR1MAOB
SCHEMBL6760776 0.76 HSD17B10 (0.32) NPSR1CDC7DBF4NUDT1MAOB
SCHEMBL6760779 0.76 HSD17B10 (0.32) NPSR1CDC7DBF4NUDT1MAOB
SCHEMBL14936704 0.72 POLB (0.52) NPSR1CDC7DBF4MAOBFDPS
SCHEMBL1434800 0.65 CA12 (0.49) MAOB
SCHEMBL8092965 0.65 HDAC3 (0.49) NPSR1MAOBALDH1A1
SCHEMBL6760408 0.65 CCNB2 (0.32)
SCHEMBL7840880 0.64 NUDT1 (0.49) CDC7DBF4NUDT1HSD17B10KDM4E
SCHEMBL6757707 0.63 ACSS2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723853-B2 ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH 2004-04-20 US disclosed
US-20030073840-A1 Intermediates and methods of preparation of intermediates in the enantiomeric synthesis of (20R)homocamptothecins and the enantiomeric synthesis of (20R)homocamptothecins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-17 US disclosed
WO-2003018559-A2 INTERMEDIATES AND PREPARATION THEREOF FOR THE ENANTIOSELECTIVE SYNTHESIS OF (20R) HOMOCAMPTOTHECINS UNIVERSITY OF PITTSBURGH (US) 2003-03-06 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 (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-20030073840-A1 Intermediates and methods of preparation of intermediates in the enantiomeric synthesis of (20R)homocamptothecins and the enantiomeric synthesis of (20R)homocamptothecins FOLR1, POR, FOLR2 NPSR1 4049/4885CDC7 958/4885DBF4 3999/4885

“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.