SCHEMBL719907

SCHEMBL719907

COC(=O)c1oc2ccc(OC)cc2c1C

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.76
ALDH1A1 P00352 7/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
HPGD P15428 3/20 0.76
TP53 P04637 1/20 0.76
HTT P42858 1/20 0.76
HSD17B10 Q99714 1/20 0.76
RAB9A P51151 8/20 0.69
NPC1 O15118 7/20 0.69
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 1/20 0.61
GAA P10253 1/20 0.60
ATM Q13315 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL1473247 0.87 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4763073 0.86 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL27280522 0.86 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL5734812 0.85 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL11098041 0.82 NPC1 (0.64) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL4179939 0.82 RAB9A (0.70) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL28417797 0.82 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL724096 0.82 MAPT (0.64) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL717905 0.82 KCNH2 (0.67) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL716903 0.80 RAB9A (0.74) KDM4EALDH1A1SMN1; SMN2HPGDTP53

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.