SCHEMBL717612

SCHEMBL717612

CCCCCCC(=O)c1oc2ccc(OC)cc2c1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL720240 0.88 NPC1 (0.58) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL719423 0.88 RAB9A (0.55) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL717596 0.86 KDM4E (0.53) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1473247 0.78 KDM4E (0.69) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL3403378 0.78 KDM4E (0.58) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4763073 0.77 KDM4E (0.78) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL719907 0.76 KDM4E (0.76) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL719381 0.76 RAB9A (0.59) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9989066 0.74 KDM4E (0.80) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL11098041 0.74 NPC1 (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; 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 KDM4E 1907/4885RAB9A 2454/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885RAB9A 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.