SCHEMBL720837

SCHEMBL720837

COCCN(C)c1ccc2oc(C(=O)OC)c(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 3/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL718577 0.79 LMNA (0.35) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL721412 0.78 IGLV6-57 (0.35) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL719907 0.72 KDM4E (0.76) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL717905 0.72 KCNH2 (0.67) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL28417797 0.72 KDM4E (0.59) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL724096 0.72 MAPT (0.64) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL717430 0.70 MAPT (0.38) RAB9ANPC1KDM4EALDH1A1TP53
SCHEMBL719418 0.70 KCNH2 (0.52) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL8277255 0.70 KDM4E (0.50) L3MBTL1RAB9ANPC1KDM4EALDH1A1
SCHEMBL15714086 0.69 HIF1A (0.58) L3MBTL1RAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885RAB9A 2454/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP L3MBTL1 4088/4885RAB9A 2454/4885NPC1 902/4885

“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.