SCHEMBL717067

SCHEMBL717067

CCOC(=O)c1oc2ccc(OCc3ccccc3)cc2c1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.57
MAOB P27338 1/20 0.57
PKM P14618 1/20 0.57
MAPT P10636 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL26602218 0.88 KDM4E (0.59) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL30621960 0.88 KDM4E (0.59) KDM4EL3MBTL1ALDH1A1TDP1POLB
SCHEMBL717397 0.87 CASP3 (0.61) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL720239 0.87 CASP3 (0.70) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL28209630 0.85 CASP3 (0.61) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL8437810 0.84 KDM4E (0.62) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL720265 0.84 CASP3 (0.60) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL26693515 0.84 L3MBTL1 (0.80) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL30659906 0.84 L3MBTL1 (0.80) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL28411136 0.82 CASP3 (0.57) KDM4ECASP3SENP8SENP7SENP6

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 1907/4885CASP3 489/4885SENP8 1677/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885CASP3 489/4885SENP8 1677/4885

“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.