SCHEMBL3308208

SCHEMBL3308208

COC(=O)CC(Nc1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 3/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CRHBP P24387 1/20 0.51
CYP2C19 P33261 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KLK7 P49862 3/20 0.50
CASR P41180 1/20 0.50
GPR88 Q9GZN0 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6561099 0.90 KCNA5 (0.47) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL13668036 0.88 CA1 (0.53) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL13395857 0.85 CA1 (0.55) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL1429119 0.83 KMT2A (0.60) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL13395859 0.83 THRB (0.48) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL3307472 0.82 KMT2A (0.52) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL4854181 0.82 GPR88 (0.52) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL3367829 0.81 MAPT (0.53) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL4846798 0.81 TDP1 (0.53) MEN1KMT2AHTTKLK7CASR
SCHEMBL6689198 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH 2010-04-22 US disclosed
US-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH 2010-04-22 US disclosed
US-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH 2010-04-22 US disclosed
EP-2139873-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF ß-AMINO ACID ESTER DERIVATIVE Agency for Science, Technology and Research (SG) 2010-01-06 EP disclosed
WO-2008115149-A9 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-15 WO disclosed
WO-2008115149-A9 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-15 WO disclosed
WO-2008115149-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 WO disclosed
WO-2008115149-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β -AMINO ACID ESTER DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 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-20100099886-A1 N-HETEROCYCLIC CARBENE CATALYZED SYNTHESIS OF N-PHENYLISOXAZOLIDIN-5-ONE DERIVATIVE AND SYNTHESIS OF β-AMINO ACID ESTER DERIVATIVE DDC, NDC1, ADH1C ALDH1A1 60/4885MEN1 3691/4885KMT2A 1659/4885

“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.