SCHEMBL17535580

SCHEMBL17535580

CCOc1nc(C=O)cc(C2CC2)c1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
CNR2 P34972 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
ERN1 O75460 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL17535321 0.79 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL16056444 0.76 SSTR5 (0.38) ALDH1A1GAAKDM4E
SCHEMBL17535874 0.76 KDM4E (0.41) ALDH1A1GAAKDM4EPOLBNPC1
SCHEMBL16056140 0.71 KDM4E (0.55) ALDH1A1KDM4EPOLB
SCHEMBL16056064 0.65 ALDH1A1 (0.51) ALDH1A1GAAKDM4EPOLBNPC1
SCHEMBL6339947 0.65 CCNA2 (0.36) ALDH1A1GAAKDM4EPOLB
SCHEMBL17310822 0.65 BTK (0.54) ALDH1A1GAAKDM4EPOLBERN1
SCHEMBL28932682 0.65 NQO1 (0.41) ALDH1A1GAAKDM4EERN1
SCHEMBL2415158 0.64 CCR1 (0.37) ALDH1A1CNR2CNR1
SCHEMBL17535789 0.63 POLB (0.33) ALDH1A1KDM4EPOLB

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 2449/4885GAA 3930/4885CNR2 228/4885

“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.