SCHEMBL7136142

SCHEMBL7136142

CN(C)C(=O)CC(=O)c1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 11/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7132527 0.85 TSHR (0.45) NPSR1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL27272020 0.82 KMT2A (0.38) NPSR1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL7135689 0.80 KDM4E (0.42) NPSR1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL7142680 0.80 KDM4E (0.41) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL7022743 0.79 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDPOLB
SCHEMBL7139320 0.78 RAB9A (0.40) NPSR1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL28827648 0.77 ALDH1A1 (0.42) NPSR1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL9667079 0.76 PTPN1 (0.51) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL7139284 0.75 NPC1 (0.37) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7143259 0.75 TSHR (0.42) LMNAMAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO NCEH1 370/4885NPSR1 2556/4885LMNA 3165/4885

“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.