SCHEMBL16055166

SCHEMBL16055166

CCOc1cc(C=O)cc(C)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SSTR5 P35346 6/20 0.39
KCNH2 Q12809 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR2 P21452 1/20 0.39
PKM P14618 1/20 0.37
NTSR1 P30989 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1121685 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1TDP1SSTR5
SCHEMBL17535738 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDSSTR5
SCHEMBL16055771 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1MAPTSSTR5
SCHEMBL16056410 0.86 KDM4E (0.46) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL16056088 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL16056243 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTTDP1
SCHEMBL18022490 0.83 KDM4E (0.43) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL16055334 0.83 KDM4E (0.43) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL16616064 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ESSTR5KCNH2
SCHEMBL18832565 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ESSTR5KCNH2MEN1

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 5 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
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 WO 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 ALDH1A1 2449/4885KDM4E 3566/4885LMNA 4589/4885

“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.