SCHEMBL16616227

SCHEMBL16616227

CCOc1cc(OCc2ccccc2)c(Br)cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ABCB1 P08183 2/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ESRRA P11474 1/20 0.46

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
SCHEMBL646463 0.95 ABCB1 (0.53) SMN1; SMN2ABCB1LMNAKDM4EALDH1A1
SCHEMBL1764051 0.90 ABCB1 (0.59) SMN1; SMN2ABCB1LMNAMRGPRX4HPGD
SCHEMBL7802388 0.87 TDP1 (0.52) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL28060606 0.86 TSHR (0.57) SMN1; SMN2LMNAKDM4EALDH1A1HTT
SCHEMBL1763974 0.85 HPGD (0.56) SMN1; SMN2ABCB1LMNAKDM4EALDH1A1
SCHEMBL28437033 0.85 SMPD1 (0.50) SMN1; SMN2ABCB1LMNAKDM4EALDH1A1
SCHEMBL167312 0.85 LMNA (0.49) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL24983869 0.84 LMNA (0.56) SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL1976781 0.84 FFAR4 (0.51) SMN1; SMN2LMNAALDH1A1HTTHPGD
SCHEMBL31363007 0.83 ALDH1A1 (0.53) SMN1; SMN2ABCB1KDM4EALDH1A1HTT

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 SMN1; SMN2 3516/4885ABCB1 2093/4885LMNA 3973/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 SMN1; SMN2 3405/4885ABCB1 2018/4885LMNA 3806/4885

“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.