SCHEMBL718551

SCHEMBL718551

COc1ccc2oc(C(O)CC(C)C)c(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 10/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 6/20 0.44
MAPT P10636 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GAA P10253 3/20 0.43
POLB P06746 1/20 0.43
NQO1 P15559 1/20 0.42

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
SCHEMBL719532 0.84 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL721773 0.83 L3MBTL1 (0.54) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL12301750 0.81 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL717703 0.81 MCL1 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL718063 0.75 RAB9A (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL436334 0.71 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL719315 0.70 L3MBTL1 (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL719502 0.69 L3MBTL1 (0.56) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL1473247 0.69 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL718464 0.68 L3MBTL1 (0.58) NPC1RAB9AL3MBTL1CASP3SENP8

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 1907/4885ALDH1A1 504/4885SMN1; SMN2 1051/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885SMN1; 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.