SCHEMBL3518262

SCHEMBL3518262

CCOC(=O)CCCCCOc1cc(C(=O)OCC)c(N)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PLA2G2A P14555 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LTA4H P09960 4/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
PPIA P62937 1/20 0.42
HTT P42858 1/20 0.41
PDE5A O76074 1/20 0.41
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3517647 1.00 TDP1 (0.43) TDP1L3MBTL1PLA2G2AALDH1A1HSD17B10
SCHEMBL3517594 0.93 PPIA (0.43) TDP1L3MBTL1ALDH1A1HSD17B10LTA4H
SCHEMBL13903543 0.93 ALDH1A1 (0.45) TDP1L3MBTL1ALDH1A1HSD17B10LTA4H
SCHEMBL643956 0.85 KDM4E (0.49) KMT2AKDM4E
SCHEMBL4333613 0.85 KDM4E (0.49) KMT2AKDM4E
SCHEMBL3515854 0.84 L3MBTL1 (0.45) TDP1L3MBTL1ALDH1A1LTA4HMEN1
SCHEMBL3518722 0.84 L3MBTL1 (0.45) TDP1L3MBTL1ALDH1A1LTA4HMEN1
SCHEMBL641791 0.84 KDM4E (0.39) ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL4349416 0.84 KDM4E (0.39) ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL3518871 0.83 NPC1 (0.49) HSD17B10MEN1KMT2APPIAKDM4E

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
EP-2194787-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2010-06-16 EP disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 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-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 TDP1 3149/4885L3MBTL1 3524/4885PLA2G2A 4450/4885

“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.