SCHEMBL3518871

SCHEMBL3518871

CCOC(=O)CCCCCCOc1cc(C(=O)OCC)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.47
CASP6 P55212 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PPIA P62937 2/20 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
SCHEMBL3517423 1.00 NPC1 (0.49) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL3520607 0.93 NPC1 (0.51) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL13903539 0.92 NPC1 (0.52) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4403626 0.87 SMN1; SMN2 (0.61) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL18425088 0.85 MEN1 (0.46) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL13434462 0.85 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4279981 0.85 HSD17B10 (0.61) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL4334475 0.84 HSD17B2 (0.47) POLBCASP6SMPD1HDAC6THRB
SCHEMBL642011 0.84 HSD17B2 (0.47) POLBCASP6SMPD1HDAC6THRB
SCHEMBL4344594 0.84 HSD17B2 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 3312/4885HPGD 1260/4885RAB9A 3196/4885

“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.