SCHEMBL4177944

SCHEMBL4177944

COc1ccc(COc2cc(OC[C@@H]3CO3)c(C(=O)N(C)C)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
SCN9A Q15858 2/20 0.42
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
CASP3 P42574 1/20 0.38

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
SCHEMBL4555820 1.00 KDM4E (0.44) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1787083 0.88 ALDH1A1 (0.48) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4174879 0.87 ALDH1A1 (0.47) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3932510 0.87 ALDH1A1 (0.47) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4751869 0.85 ALDH1A1 (0.43) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4189521 0.85 ALDH1A1 (0.46) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4191981 0.81 ALDH1A1 (0.52) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4754155 0.80 ALDH1A1 (0.52) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL13984358 0.78 HSP90AA1 (0.43) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1953789 0.78 ALDH1A1 (0.46) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 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 (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-20080167332-A1 Novel Compounds 243 UGT1A10, ABCG2, VKORC1L1 KDM4E 2805/4885CYP1A2 45/4885CYP2C9 36/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 KDM4E 4622/4885CYP1A2 998/4885CYP2C9 448/4885

“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.