SCHEMBL719103

SCHEMBL719103

Cc1c(C(=O)C2CCCCC2)oc2ccc(OCC3CCCO3)cc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 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
SCHEMBL717995 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL719232 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL716444 0.80 CASP3 (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL717576 0.79 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL716541 0.79 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL717074 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL716722 0.77 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL716771 0.77 CASP3 (0.51) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL719495 0.74 NPC1 (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL717615 0.73 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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 902/4885SMN1; SMN2 1051/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885NPC1 902/4885SMN1; SMN2 1051/4885

“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.