Isobutyraldehyde

Isobutyraldehyde

SCHEMBL7177145

CC(C)C=O.CCOC(=O)COC1C(O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.O=[PH](O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 7/20 0.54
HINT1 P49773 6/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HPGD P15428 1/20 0.43
GSK3A P49840 2/20 0.43
RPS6KA3 P51812 2/20 0.43
MAPK14 Q16539 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
PNP P00491 1/20 0.40
NT5E P21589 1/20 0.39

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
SCHEMBL16702978 0.83 TYMP (0.68) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL1738400 0.83 TYMP (0.68) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL18042134 0.83 TYMP (0.68) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL313747 0.82 TYMP (0.62) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL313746 0.82 TYMP (0.62) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL21905181 0.82 TYMP (0.67) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL6460952 0.82 TYMP (0.63) TYMPHINT1TAS1R3TAS1R1HPGD
SCHEMBL6420722 0.81 TYMP (0.79) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL17223100 0.80 TYMP (0.64) TYMPHINT1TAS1R3TAS1R1HPGD
Benzaldehyde SCHEMBL7181882 0.80 TYMP (0.44) TYMP

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-20030036649-A1 2' modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-02-20 US claimed
EP-0497875-B1 2' MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2000-03-22 EP claimed
EP-0942000-A2 2'Modified oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1999-09-15 EP claimed
EP-0497875-B1 2' MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2000-03-22 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-20030036649-A1 2' modified oligonucleotides DCLRE1B, POLRMT, POLM TYMP 10/4885HINT1 2360/4885TAS1R3 4768/4885

“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.