SCHEMBL4350641

SCHEMBL4350641

CCCCOC(=O)[C@@H](N)Cc1cccc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.48
ESR1 P03372 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BID P55957 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
BAK1 Q16611 2/20 0.39

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
SCHEMBL4729260 0.82 TDP1 (0.50) TDP1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL19664179 0.80 TSHR (0.45) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL23859898 0.76 ALDH1A1 (0.49) TSHRALDH1A1HSD17B10LMNAMAPK1
SCHEMBL14634258 0.76 GRIA2 (0.50) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL23859867 0.76 ALDH1A1 (0.49) TSHRALDH1A1HSD17B10LMNAMAPK1
SCHEMBL2734875 0.76 ALPI (0.54) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL216480 0.76 ALPI (0.54) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL17773504 0.75 PPARG (0.46) IAPPTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL30883294 0.75 IAPP (0.46) IAPPTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL157790 0.75 KDM4E (0.56) IAPPTSHRTDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 US disclosed
EP-1879880-A2 DIHYDROXYPHENYLALANINE DERIVATIVES Ellneuroxx Ltd. (DE) 2008-01-23 EP disclosed
WO-2006119758-A2 DIHYDROXYPHENYLALANINE DERIVATIVES ELLNEUROXX LTD. (DE) 2006-11-16 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA IAPP 892/4885ESR1 4385/4885TSHR 2878/4885

“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.