SCHEMBL1822191

SCHEMBL1822191

CC(Cl)C(=O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KEAP1 Q14145 1/20 0.55
FFAR1 O14842 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL10432875 0.86 MAPT (0.61) ALDH1A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL105766 0.84 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1KMT2AMEN1
SCHEMBL5598970 0.84 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1KMT2AMEN1
SCHEMBL691726 0.82 ALDH1A1 (0.59) ALDH1A1KEAP1FFAR1KMT2AMEN1
SCHEMBL28601916 0.81 FFAR1 (0.47) FFAR1HPGDTRPA1HTT
SCHEMBL3634250 0.81 PLAAT3 (0.49) ALDH1A1FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL7533997 0.81 ALDH1A1 (0.57) ALDH1A1KEAP1FFAR1KMT2AMEN1
SCHEMBL27634594 0.81 KEAP1 (0.55) ALDH1A1KEAP1FFAR1KMT2AMEN1
SCHEMBL2334514 0.80 AKR1B1 (0.58) ALDH1A1KMT2AMEN1HDAC8HDAC6
SCHEMBL8507342 0.79 KEAP1 (0.59) ALDH1A1KEAP1FFAR1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138500-B1 Grignard reactions in microreactors LONZA AG (CH) 2012-11-21 EP disclosed
US-7939698-B2 Method for grignard type reactions in microreactors LONZA AG (CH) 2011-05-10 US disclosed
EP-2044087-B1 GRIGNARD REACTIONS IN MICROREACTORS LONZA AG (CH) 2011-05-04 EP disclosed
EP-2138500-A1 Grignard reactions in microreactors LONZA AG (CH) 2009-12-30 EP disclosed
US-20090270663-A1 METHOD FOR GRIGNARD TYPE REACTIONS IN MICROREACTORS LONZA AG (CH) 2009-10-29 US disclosed
EP-2044087-A2 GRIGNARD REACTIONS IN MICROREACTORS LONZA AG (CH) 2009-04-08 EP disclosed
EP-1889849-A1 Grignard reactions in microreactors LONZA AG (CH) 2008-02-20 EP disclosed
WO-2008009378-A2 GRIGNARD REACTIONS IN MICROREACTORS LONZA AG (CH) 2008-01-24 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-20090270663-A1 METHOD FOR GRIGNARD TYPE REACTIONS IN MICROREACTORS GRIA4, GRM4, GRIK4 ALDH1A1 2250/4885KEAP1 1271/4885FFAR1 4436/4885

“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.