SCHEMBL17535738

SCHEMBL17535738

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
FDPS P14324 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TUBB1 Q9H4B7 1/20 0.42
TSHR P16473 1/20 0.41
SSTR5 P35346 7/20 0.41
KCNH2 Q12809 2/20 0.41
NFE2L2 Q16236 1/20 0.41
ERN1 O75460 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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 0.94 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASSTR5KCNH2
SCHEMBL16056243 0.88 ALDH1A1 (0.44) ALDH1A1FDPSMEN1HPGDKMT2A
SCHEMBL16055771 0.86 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATUBB1SSTR5
SCHEMBL16056410 0.86 KDM4E (0.46) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL16055166 0.86 ALDH1A1 (0.46) ALDH1A1MEN1HPGDKMT2ASSTR5
SCHEMBL16616064 0.85 ALDH1A1 (0.43) ALDH1A1SSTR5KCNH2KDM4E
SCHEMBL18832565 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASSTR5KCNH2
SCHEMBL16056088 0.85 ALDH1A1 (0.48) ALDH1A1MEN1HPGDKMT2ASSTR5
SCHEMBL17535630 0.84 ALDH1A1 (0.39) ALDH1A1FDPSMEN1KMT2ASSTR5
SCHEMBL2954865 0.83 KDM4E (0.48) ALDH1A1HPGDSSTR5KCNH2ERN1

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 ALDH1A1 2449/4885FDPS 3507/4885MEN1 185/4885

“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.