SCHEMBL719381

SCHEMBL719381

CCC(CC)C(=O)c1oc2ccc(OC)cc2c1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.59
NPC1 O15118 9/20 0.59
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 3/20 0.54
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
ATM Q13315 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL717303 0.81 RAB9A (0.52) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1473247 0.81 KDM4E (0.69) RAB9AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3403378 0.81 KDM4E (0.58) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4763073 0.80 KDM4E (0.78) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL719907 0.79 KDM4E (0.76) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11098041 0.77 NPC1 (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4179939 0.77 RAB9A (0.70) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL717612 0.76 KDM4E (0.55) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL26654397 0.75 NPC1 (0.70) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL716903 0.75 RAB9A (0.74) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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 RAB9A 2454/4885NPC1 902/4885KDM4E 1907/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885NPC1 902/4885KDM4E 1907/4885

“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.