SCHEMBL17535658

SCHEMBL17535658

C=C(C)c1cc(C(=O)OCC)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SSTR5 P35346 11/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KCNH2 Q12809 3/20 0.40
LMNA P02545 1/20 0.39
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL288447 0.88 MAPT (0.49) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL16056424 0.84 CA12 (0.49) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL16056200 0.82 MAPT (0.44) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL18022488 0.82 MAPT (0.44) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL16056031 0.81 MAPT (0.41) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL16056330 0.81 MRGPRX4 (0.50) SSTR5KDM4ESMN1; SMN2KCNH2LMNA
SCHEMBL18022487 0.80 MAPT (0.45) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL16056320 0.78 SSTR5 (0.46) MAPTSSTR5KDM4EKCNH2LMNA
SCHEMBL10111306 0.77 SSTR5 (0.48) SSTR5KCNH2
SCHEMBL16056786 0.76 SSTR5 (0.45) SSTR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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 (1 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 MAPT 3594/4885MEN1 185/4885CASP3 1717/4885

“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.