SCHEMBL16616232

SCHEMBL16616232

CCOc1cc(-c2ccccc2OC)c(C2CC2)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.44
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
CTSG P08311 1/20 0.37
KLK7 P49862 1/20 0.37
KLK14 Q9P0G3 1/20 0.37
KLK5 Q9Y337 1/20 0.37
PTPRC P08575 1/20 0.37
DRD2 P14416 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16055749 0.86 ALDH1A1 (0.39) ERN1ALDH1A1KDM4EPTPRCPOLB
SCHEMBL16616387 0.84 ALDH1A1 (0.41) ERN1ALDH1A1KDM4EPTPRCPOLB
SCHEMBL16616493 0.82 ERN1 (0.40) ERN1ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL16056064 0.80 ALDH1A1 (0.51) ERN1ALDH1A1KDM4ETSHRPOLB
SCHEMBL16616393 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBHPGD
SCHEMBL16055474 0.80 SSTR5 (0.42) ALDH1A1KDM4EPOLBNPSR1
SCHEMBL16056313 0.79 ALDH1A1 (0.39) ERN1ALDH1A1KDM4ETSHRPOLB
SCHEMBL16056393 0.78 ALDH1A1 (0.49) ERN1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL16616233 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1DRD2POLB
SCHEMBL16055502 0.77 ERN1 (0.40) ERN1ALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
EP-3055309-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) Takeda Pharmaceutical Company Limited (JP) 2016-08-17 EP disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
WO-2015052910-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 WO disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 US 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 ERN1 3408/4885ALDH1A1 3197/4885KDM4E 3637/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 ERN1 3437/4885ALDH1A1 3012/4885KDM4E 3670/4885

“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.