SCHEMBL14569760

SCHEMBL14569760

CN(CCO)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 2/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G4B P0C869 4/20 0.53
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LSS P48449 2/20 0.51
RARB P10826 4/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLA2G4A P47712 1/20 0.48

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
SCHEMBL4511317 0.92 DRD2 (0.64) DRD2PKMMAPK1TSHRTP53
SCHEMBL14569973 0.88 TSHR (0.62) DRD2PKMMAPK1TSHRTP53
SCHEMBL14569823 0.86 DRD2 (0.62) DRD2PKMMAPK1TSHRTP53
SCHEMBL1981044 0.83 PKM (0.62) DRD2PKMMAPK1TSHRTP53
SCHEMBL13529999 0.82 DRD2 (0.51) DRD2PKMMAPK1TSHRTP53
Hydrochloric Acid SCHEMBL5070229 0.82 PKM (0.61) DRD2PKMMAPK1TSHRTP53
SCHEMBL22831363 0.82 ALDH1A1 (0.59) TSHRALDH1A1
SCHEMBL14569696 0.81 TSHR (0.66) PKMTSHRALDH1A1
SCHEMBL14569695 0.81 PKM (0.56) DRD2PKMMAPK1TSHRTP53
Hydrochloric Acid SCHEMBL21225052 0.81 PKM (0.59) DRD2PKMMAPK1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 DRD2 3285/4885PKM 1845/4885MAPK1 1430/4885

“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.