SCHEMBL5855770

SCHEMBL5855770

CC(C)(C)OC(=O)CC([Se])(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
KCNN4 O15554 1/20 0.39
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL1593582 0.78 CYP2C19 (0.53) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL28660324 0.78 CYP2C19 (0.53) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL27708172 0.74 CYP2C19 (0.49) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL1926066 0.74 CYP2C19 (0.45) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL9502687 0.74 KCNN4 (0.49) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL17825682 0.73 CYP2C19 (0.47) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL8130212 0.73 CHRM2 (0.45) CYP2C19HIF1AKMT2ACHRM2CHRM4
SCHEMBL28077402 0.72 KCNN4 (0.48) CYP2C19HIF1AKCNN4MAPTKMT2A
SCHEMBL491371 0.72 KCNN4 (0.64) CYP2C19HIF1AKCNN4MAPTKMT2A
Hydrogen Peroxide SCHEMBL27880626 0.72 KCNN4 (0.64) CYP2C19HIF1AKCNN4MAPTKMT2A

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
US-7022310-B2 Stable isotope-labeled amino acid and method for incorporating same into target protein AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2006-04-04 US disclosed
US-20050084452-A1 Stable isotope-labeled amino acid and method for incorporating same into target protein JAPANESE SCIENCE AND TECHNOLOGY AGENCY 2005-04-21 US disclosed
EP-1457482-A1 STABLE ISOTOPE-LABELED AMINO ACID, METHOD OF INTEGRATING THE SAME INTO TARGET PROTEIN, METHOD OF NMR STRUCTURAL ANALYSIS OF PROTEIN AND PROCESS FOR PRODUCING SITE-SELECTIVE STABLE ISOTOPE-LABELED FUMARIC ACID AND TARTARIC ACID Japan Science and Technology Agency (JP) 2004-09-15 EP 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-20050084452-A1 Stable isotope-labeled amino acid and method for incorporating same into target protein GEMIN5, ATIC, AIP CYP2C19 4812/4885HIF1A 2803/4885KCNN4 4337/4885

“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.