SCHEMBL6652569

SCHEMBL6652569

CC1CCCC(C)C1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8021342 1.00 ALDH1A1 (0.42) ALDH1A1
Cyclohexane SCHEMBL29153241 0.98 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11426532 0.90 ALDH1A1 (0.40) ALDH1A1
SCHEMBL48400 0.87 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20484233 0.84 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11422745 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29124327 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL330951 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8007242 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8007238 0.75 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500782-A Process for preparing at least one polyisocyanate 巴斯夫欧洲公司 2024-02-02 CN disclosed
EP-3728238-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS Nodthera Limited (GB) 2020-10-28 EP disclosed
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 US disclosed
EP-1425283-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-06-09 EP disclosed
WO-2003018589-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-03-06 WO disclosed
EP-0800512-B1 ANTIHERPES PEPTIDOMIMETIC COMPOUNDS BOEHRINGER INGELHEIM CA LTD (CA) 2000-01-05 EP disclosed
US-5846941-A Isosteric antiherpes peptide derivatives II BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-12-08 US disclosed
EP-0800512-A1 ANTIHERPES PEPTIDOMIMETIC COMPOUNDS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1997-10-15 EP disclosed
WO-1996020171-A1 ANTIHERPES PEPTIDOMIMETIC COMPOUNDS BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE (CA) 1996-07-04 WO disclosed
US-4510097-A Hindered aliphatic monoisocyanates W. R. GRACE & CO. (US) 1985-04-09 US disclosed
US-4211847-A CYCLOHEXYL ISOTHIOCYANATE OR HINDERED CYCLOALIPHATIC ISOCYANATE W. R. GRACE & CO. (US) 1980-07-08 US 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-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP ALDH1A1 176/4885

“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.