SCHEMBL3245802

SCHEMBL3245802

C#CCOc1ccc(CCNC(=O)C(O)C(C)c2ccccc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 4/20 0.48
ADRB2 P07550 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL6229114 0.90 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1ADRB2MAPK1
SCHEMBL6229108 0.90 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1ADRB2MAPK1
SCHEMBL3248847 0.90 KMT2A (0.47) KMT2AMEN1ALDH1A1ADRB2LMNA
SCHEMBL6231553 0.86 KMT2A (0.48) KMT2AMEN1ALDH1A1ADRB2MAPK1
SCHEMBL6230786 0.86 KMT2A (0.48) KMT2AMEN1ALDH1A1ADRB2MAPK1
SCHEMBL3253339 0.85 CTSD (0.52) KMT2AMEN1ALDH1A1ADRB2TSHR
SCHEMBL3253330 0.85 CTSD (0.52) KMT2AMEN1ALDH1A1ADRB2TSHR
SCHEMBL3256831 0.85 CTSD (0.52) KMT2AMEN1ALDH1A1ADRB2TSHR
SCHEMBL6819827 0.85 SMN1; SMN2 (0.54) KMT2AMEN1ALDH1A1ADRB2LMNA
SCHEMBL1549196 0.84 ALDH1A1 (0.51) ALDH1A1ADRB2TSHRSMN1; SMN2PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448514-B1 NOVEL ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-05-19 EP disclosed
EP-1448514-B1 NOVEL ALPHA-OXYGENATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-05-19 EP disclosed
US-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 US disclosed
US-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 US disclosed
US-7700522-B2 α-Oxygenated or α-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2010-04-20 US disclosed
US-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-17 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-20050038082-A1 Novel $g(a)-oxygenated or $g(a)-thiolated carboxylic acid phenethylamide derivatives CBR3, CBR1, GLRA1 KMT2A 1404/4885MEN1 3952/4885ALDH1A1 482/4885

“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.