SCHEMBL7140949

SCHEMBL7140949

NC(=O)CCc1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
FLT3 P36888 1/20 0.51
AGXT P21549 1/20 0.51
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A2 P43354 1/20 0.46
MAOB P27338 2/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ADAM17 P78536 1/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL10368235 0.86 LOXL2 (0.55) LOXL2FLT3AGXTESR1ESR2
SCHEMBL7248298 0.85 LOXL2 (0.53) LOXL2FLT3AGXTESR1ESR2
SCHEMBL5986670 0.83 LOXL2 (0.59) LOXL2FLT3AGXTESR1ESR2
SCHEMBL8707442 0.81 MAPT (0.52) LOXL2FLT3AGXTESR1ESR2
SCHEMBL23804835 0.79 CYP1A2 (0.51) LOXL2FLT3AGXTESR1ESR2
SCHEMBL10480321 0.78 LOXL2 (0.50) LOXL2FLT3AGXTESR1ESR2
SCHEMBL5640993 0.78 CASP6 (0.50) LOXL2FLT3AGXTESR1ESR2
SCHEMBL7030964 0.77 MAOB (0.50) LOXL2AGXTNPC1RAB9ATSHR
SCHEMBL140395 0.77 LOXL2 (0.71) LOXL2FLT3AGXTESR1ESR2
SCHEMBL2249038 0.77 LOXL2 (0.60) LOXL2FLT3AGXTESR1ESR2

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 LOXL2 422/4885FLT3 2295/4885AGXT 280/4885

“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.