SCHEMBL6673568

SCHEMBL6673568

CCC(C)Nc1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 3/20 0.57
ALOX15 P16050 3/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 3/20 0.57
CDC25B P30305 3/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 2/20 0.57
ATM Q13315 1/20 0.57
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 3/20 0.55
HIF1A Q16665 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HSP90AA1 P07900 1/20 0.55
THRB P10828 1/20 0.55
CASP1 P29466 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FADS1 O60427 1/20 0.45
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44

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
SCHEMBL17836959 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17836961 0.84 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL9987427 0.84 CA12 (0.49) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL11158652 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL651572 0.80 HSD17B10 (0.87) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL29619354 0.80 HSD17B10 (0.87) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL30514612 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL30514616 0.78 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL22250979 0.78 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL12258222 0.78 CDC25B (0.65) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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
EP-1056711-B1 PROCESS FOR STABILISING (METHA)ACRYLIC ESTERS AGAINST UNWANTED RADICAL POLYMERISATION BASF AG (DE) 2004-10-06 EP claimed
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
EP-3310819-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2018-04-25 EP disclosed
US-6518452-B1 A method of stabilizing an ester of (meth)acrylic acid against free-radical polymerization, comprising: adding to said ester of (meth)acrylic acid a polymerization inhibitor which comprises at least one nitroxyl radical and/or at least BASF AKTIENGESELLSCHAFT (DE) 2003-02-11 US disclosed
US-6518374-B1 Inhibitor solution, containing at least 10% phenothiazine, from 5 to 10% p-methoxyphenol and at least 50% N-methylpyrrolidone BASF AKTIENGESELLSCHAFT (DE) 2003-02-11 US disclosed
US-H1957-H1 ADDING A PHENOTHIAZINE-CONTAINING SOLUTION WHOSE SOLVENT COMPRISES AT LEAST 50% OF ITS WEIGHT OF AN N-ALKYLPYRROLIDONE BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 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 (2 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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885CYP3A4 481/4885ALOX15 381/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885CYP3A4 481/4885ALOX15 381/4885

“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.