SCHEMBL6572888

SCHEMBL6572888

Cc1cc(CC(C)C)c(C)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TERT O14746 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL11851884 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5015100 0.82 POLB (0.49) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5022876 0.80 ALDH1A1 (0.39) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5372842 0.77 ALDH1A1 (0.73) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL941288 0.77 ALDH1A1 (1.00) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL28656722 0.75 ALDH1A1 (0.70) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL23387413 0.74 GABRA1 (0.52) ALDH1A1ALOX15CASP7HIF1AHSD17B10
SCHEMBL22863402 0.74 GABRA1 (0.34) ALDH1A1GABRA1GABRB2
SCHEMBL2683313 0.74 CYP1A2 (0.37) ALDH1A1CYP1A2MAPK1GABRA1GABRB2
SCHEMBL10019203 0.74 LMNA (0.39) ALDH1A1ALOX15CYP3A4POLBGAA

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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 ALDH1A1 669/4885CYP1A2 37/4885ALOX15 805/4885

“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.