SCHEMBL3520607

SCHEMBL3520607

CCOC(=O)c1ccc(OCc2ccccc2)c(OCCCCC(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
SMPD1 P17405 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CASP6 P55212 1/20 0.46
PPIA P62937 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL3518871 0.93 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL3517423 0.93 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL13434462 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL13903539 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL4403626 0.86 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL4266594 0.84 HSD17B2 (0.54) NPC1RAB9ASMN1; SMN2SMPD1HDAC6
SCHEMBL4279981 0.84 HSD17B10 (0.61) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL3517594 0.83 PPIA (0.43) SMN1; SMN2MEN1KMT2APPIAHSD17B10
SCHEMBL340393 0.83 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2HPGDSMPD1
SCHEMBL3515803 0.80 CTSV (0.43) SMN1; SMN2MEN1KMT2AMAPTPPIA

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 NPC1 3312/4885RAB9A 3196/4885SMN1; SMN2 4747/4885

“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.