SCHEMBL718577

SCHEMBL718577

COCCN(C)c1ccc2oc(CO)c(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
KLK7 P49862 1/20 0.33
ATM Q13315 1/20 0.33
CFTR P13569 1/20 0.32
TBXAS1 P24557 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DGAT1 O75907 1/20 0.31
BRAF P15056 1/20 0.31
NTSR1 P30989 6/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
IGLV6-57 P01721 1/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL720837 0.79 L3MBTL1 (0.44) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL721412 0.79 IGLV6-57 (0.35) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL717430 0.73 MAPT (0.38) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL24757779 0.68 RAB9A (0.43) LMNANPC1RAB9AKDM4EALDH1A1
SCHEMBL4451342 0.68 MCL1 (0.55) LMNARAB9AKDM4EALDH1A1MAPT
SCHEMBL10857787 0.68 KCNH2 (0.50) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL18562081 0.68 BRAF (0.41) RAB9AALDH1A1CFTRMAPTDGAT1
SCHEMBL10857171 0.68 TBXAS1 (0.44) NPC1RAB9AKDM4EALDH1A1TBXAS1
SCHEMBL7735439 0.67 TSHR (0.36) ALDH1A1GAACFTRDGAT1BRAF
SCHEMBL10216056 0.65 ALDH1A1 (0.44) LMNAALDH1A1CFTRMAPTDGAT1

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 LMNA 3028/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885NPC1 902/4885RAB9A 2454/4885

“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.