SCHEMBL720359

SCHEMBL720359

Cc1c(C(O)C(C)C)oc2cccc(F)c12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 3/20 0.33
EDNRA P25101 1/20 0.32
PDE2A O00408 1/20 0.32
KDM1A O60341 2/20 0.32
GAA P10253 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
ADRB1 P08588 1/20 0.30
MIF P14174 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL24756588 0.81 AR (0.33) ARGAA
SCHEMBL721493 0.74 RAB9A (0.34)
SCHEMBL30136600 0.73 AR (0.32) ARKDM1A
SCHEMBL24324278 0.71 AR (0.40) AREDNRAKDM1AGAA
SCHEMBL719878 0.70 EDNRA (0.47) KDM4EHSD17B10EDNRAKDM1AADRB1
SCHEMBL719686 0.70 RAB9A (0.40) KDM4EGLAHSD17B10GAA
SCHEMBL31231889 0.70 RAB9A (0.40) KDM4EGLAHSD17B10GAA
SCHEMBL31231882 0.70 RAB9A (0.40) KDM4EGLAHSD17B10GAA
SCHEMBL30933181 0.68 AR (0.35) AREDNRAKDM1A
SCHEMBL13825942 0.68 AR (0.36) ARKDM1A

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 1907/4885GLA 710/4885HSD17B10 691/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885GLA 710/4885HSD17B10 691/4885

“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.