SCHEMBL3227341

SCHEMBL3227341

O=C(O)C1(O)CCCC1O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2832691 0.93 LMNA (0.33)
SCHEMBL7130222 0.93 LMNA (0.33)
SCHEMBL6142784 0.93 LMNA (0.33)
SCHEMBL22323586 0.91 CYP2C19 (0.35)
SCHEMBL22324095 0.91 CYP2C19 (0.35)
SCHEMBL6143371 0.87 LMNA (0.31)
SCHEMBL6040475 0.86 CYP2C19 (0.33)
SCHEMBL3189299 0.85
SCHEMBL3695305 0.79
SCHEMBL8566496 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS NATIONAL SCIENCE FOUNDATION 2022-06-30 US disclosed
WO-2020163295-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-08-13 WO disclosed
EP-2173714-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2010-04-14 EP disclosed
WO-2010014516-A1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK & CO., INC. (US) 2010-02-04 WO disclosed
WO-2009015166-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 WO disclosed
EP-1056749-A1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-12-06 EP disclosed
WO-1999041254-A1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 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-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS DHPS, PCBP1, PNKP CYP1A2 161/4885

“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.