SCHEMBL718063

SCHEMBL718063

COc1ccc2oc(C(O)C3CCCCC3)c(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
POLB P06746 3/20 0.48
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 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
SCHEMBL719030 0.86 RAB9A (0.47) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL718490 0.86 NPC1 (0.46) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL717053 0.85 NPC1 (0.45) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL718939 0.85 RAB9A (0.54) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL716333 0.84 NPC1 (0.41) RAB9ANPC1POLBL3MBTL1
SCHEMBL718421 0.83 L3MBTL1 (0.50) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL716565 0.82 NPC1 (0.40) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL718925 0.82 NPC1 (0.55) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL721192 0.82 MCL1 (0.45) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL720875 0.82 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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 902/4885POLB 4719/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885NPC1 902/4885POLB 4719/4885

“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.