SCHEMBL5498513

SCHEMBL5498513

CC(=O)NC(=Cc1ccccc1)C(=O)O.CCN(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKR1C3 P42330 1/20 0.46
RECQL P46063 2/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.40
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL786716 0.89 AKR1C3 (0.57) MEN1KMT2AAKR1C3RECQLMTNR1A
SCHEMBL388143 0.89 AKR1C3 (0.57) MEN1KMT2AAKR1C3RECQLMTNR1A
SCHEMBL388142 0.89 AKR1C3 (0.57) MEN1KMT2AAKR1C3RECQLMTNR1A
SCHEMBL387760 0.87 AKR1C3 (0.55) MEN1KMT2AAKR1C3RECQLMTNR1A
Methyl Alcohol SCHEMBL8740650 0.87 AKR1C3 (0.55) MEN1KMT2AAKR1C3RECQLMTNR1A
SCHEMBL847144 0.81 KMT2A (0.49) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL15085946 0.80 TP53 (0.56) MEN1KMT2AAKR1C3RECQLALDH1A1
SCHEMBL14135332 0.79 AKR1C3 (0.48) MEN1KMT2AAKR1C3RECQLMTNR1A
SCHEMBL12561790 0.79 RECQL (0.53) MEN1KMT2AAKR1C3RECQLMTNR1A
Methyl Alcohol SCHEMBL8740641 0.78 AKR1C3 (0.47) MEN1KMT2AAKR1C3RECQLMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567535-B1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 2007-01-17 EP disclosed
US-6984744-B2 Phosphine ligands HOFFMAN-LA ROCHE INC. (US) 2006-01-10 US disclosed
EP-1567535-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004050669-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110975-A1 2-(2-phosphinoethyl)phospholanes and transition metal complexes with such ligands in asymmetric hydrogenation reactions; phospholone intermediates F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040110975-A1 2-(2-phosphinoethyl)phospholanes and transition metal complexes with such ligands in asymmetric hydrogenation reactions; phospholone intermediates CCRL2, LUC7L2, CDKL1 MEN1 2235/4885KMT2A 925/4885AKR1C3 748/4885

“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.