SCHEMBL6062389

SCHEMBL6062389

CC(=O)Nc1c(C)cccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
POLB P06746 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CRHBP P24387 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CRHR2 Q13324 1/20 0.47
HPGD P15428 1/20 0.46
TSPO P30536 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 2/20 0.43
ADRA2C P18825 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7719997 0.84 L3MBTL1 (0.54) GAAPOLBALDH1A1HPGDTSPO
SCHEMBL10945752 0.83 BRD4 (0.47) GAAPOLBALDH1A1HPGDTSPO
SCHEMBL27496561 0.83 POLB (0.49) GAAPOLBALDH1A1CRHBPFNTA
SCHEMBL5480782 0.80 ATM (0.56) POLBALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL11163432 0.80 GAA (0.47) GAAPOLBALDH1A1CRHBPFNTA
SCHEMBL11086850 0.80 CAMK2A (0.52) GAAPOLBALDH1A1TSPOLMNA
SCHEMBL11170313 0.78 EPHX1 (0.59) ALDH1A1HPGDLMNAMAPTHTT
SCHEMBL6063201 0.77 LMNA (0.45) GAAPOLBALDH1A1TSPOLMNA
SCHEMBL436967 0.77 ALDH1A1 (0.59) GAAPOLBALDH1A1HPGDLMNA
SCHEMBL30327328 0.77 ADRA2C (0.64) GAAPOLBALDH1A1LMNAMAPT

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-7145035-B2 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-05 US disclosed
US-20040082793-A1 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY 2004-04-29 US disclosed
EP-1368310-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. du Pont de Nemours and Company (US) 2003-12-10 EP disclosed
WO-2002072540-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-19 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-20040082793-A1 Methods of ortho alkylation CBR1, AOC2, CBR3 GAA 3155/4885POLB 1875/4885ALDH1A1 270/4885

“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.