SCHEMBL717397

SCHEMBL717397

CCC(=O)c1oc2ccc(OCc3ccccc3)cc2c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
PKM P14618 1/20 0.58
ACHE P22303 1/20 0.53
MAOB P27338 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PTGER4 P35408 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SLC26A4 O43511 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL720239 0.88 CASP3 (0.70) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL717067 0.87 KDM4E (0.62) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL720265 0.87 CASP3 (0.60) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL28209630 0.86 CASP3 (0.61) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL28411136 0.83 CASP3 (0.57) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL716444 0.80 CASP3 (0.54) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL15201819 0.80 CASP3 (0.59) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL718464 0.79 L3MBTL1 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL719690 0.78 L3MBTL1 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL719502 0.77 L3MBTL1 (0.56) CASP3SENP8SENP7SENP6KDM4E

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 CASP3 489/4885SENP8 1677/4885SENP7 2664/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CASP3 489/4885SENP8 1677/4885SENP7 2664/4885

“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.